SCHEMBL249952

SCHEMBL249952

NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.64
TSHR P16473 1/20 0.64
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KAT2B Q92831 2/20 0.47
CTSD P07339 1/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ACHE P22303 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL1566247 0.98 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL117725 0.98 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
Phosphonic Acid SCHEMBL27912432 0.91 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
Formic Acid SCHEMBL28091396 0.91 ALDH1A1 (0.55) ALDH1A1TSHRHPGDHTTL3MBTL1
SCHEMBL30408060 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1811434 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL3202573 0.84 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL3652038 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10
Hydrochloric Acid SCHEMBL31250676 0.83 ALDH1A1 (0.60) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 608 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119977906-A A-site cation-regulated halide perovskite, and preparation method and application thereof 西北大学 2025-05-13 CN claimed
US-12247089-B2 Photo-coupled synergistically crosslinked hydrogel material and its composition, preparation method, use, product, and preparation kit Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2025-03-11 US claimed
CN-117801754-A Water-based adhesive, preparation method thereof and electrode plate 广州鹿山新材料股份有限公司 2024-04-02 CN claimed
CN-113912867-B Preparation method of polyglutamate hydrogel and product 西安德诺海思医疗科技有限公司 2023-04-18 CN claimed
WO-2023019148-A1 MACROMOLECULE ENRICHMENT PrognomIQ, Inc. (US) 2023-02-16 WO claimed
WO-2023009099-A1 PCR KIT-OF-PARTS, METHOD AND SYSTEM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2023-02-02 WO claimed
US-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-09-15 US claimed
CN-113912867-A Preparation method and product of polyglutamate hydrogel 西安德诺海思医疗科技有限公司 2022-01-11 CN claimed
US-11117879-B2 Photo-crosslinked hydrogel material and preparation, composition, and application thereof photo-crosslinked hydrogel Zhongshan Guanghe Medical Technology Co., Ltd. (CN) 2021-09-14 US claimed
CN-112441984-A Benzimidazole substituted phenyl n-butylamide-based compound and preparation method thereof 上海特化医药科技有限公司 2021-03-05 CN claimed
EP-0881229-B1 Alkylated antibiotic hexapeptides LILLY CO ELI (US) 2003-07-09 EP claimed
EP-0892813-A4 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA INC (US) 2003-02-05 EP claimed
US-20010031856-A1 Forming fusion protein which includes target sequence linked to carbonic anhydrase through cleavage site and cleaving fusion protein with cleavage reagent to produce first polypeptide including target sequence BIO NEBRASKA, INC. 2001-10-18 US claimed
US-6251635-B1 CONDENSING AN N-TERMINAL FRAGMENT OF DEFINED AMINO ACID SEQUENCE WITH RECOMBINANTLY-FORMED POLYPEPTIDE OF DEFINED AMINO ACID SEQUENCE IN PRESENCE OF NON-ENZYMATIC COUPLING REAGENT BIONEBRASKA, INC. 2001-06-26 US claimed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
US-5962270-A TRANSFORMING HOST CELL WITH VECTOR ENCODING A FUSION PROTEIN OF CARBONIC ANHYDRASE, LINKER PEPTIDE, AND CALCITONIN; CULTURING CELL TO EXPRESS FUSION PROTEIN, CLEAVING PROTEIN WITH HYDROXYLAMINE AT LINKER PEPTIDE BIONEBRASKA, INC. (US) 1999-10-05 US claimed
EP-0892813-A1 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA, INC. (US) 1999-01-27 EP claimed
WO-1997029127-A1 RECOMBINANT PREPARATION OF CALCITONIN FRAGMENTS AND USE THEREOF IN THE PREPARATION OF CALCITONIN AND RELATED ANALOGS BIONEBRASKA, INC. (US) 1997-08-14 WO claimed
WO-1996017941-A2 PRODUCTION OF C-TERMINAL AMIDATED PEPTIDES FROM RECOMBINANT PROTEIN CONSTRUCTS BIONEBRASKA, INC. (US) 1996-06-13 WO claimed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12247089-B2 Photo-coupled synergistically crosslinked hydrogel material and its composition, preparation method, use, product, and preparation kit PKN3, JAK3, KIT ALDH1A1 92/4885TSHR 3722/4885HPGD 227/4885
US-11117879-B2 Photo-crosslinked hydrogel material and preparation, composition, and application thereof photo-crosslinked hydrogel JAK3, ILK, JAK1 ALDH1A1 964/4885TSHR 2209/4885HPGD 3483/4885
US-20010031856-A1 Forming fusion protein which includes target sequence linked to carbonic anhydrase through cleavage site and cleaving fusion protein with cleavage reagent to produce first polypeptide including target sequence CA1, CA11, CA14 ALDH1A1 4401/4885TSHR 1928/4885HPGD 1988/4885
US-20220289684-A1 BENZIMIDAZOLE SUBSTITUTION-BASED PHENYL N-BUTYRAMIDE COMPOUND AND PREPARATION METHOD THEREFOR PAH, PNP, CYP3A4 ALDH1A1 1641/4885TSHR 4202/4885HPGD 1449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.