SCHEMBL3742310

SCHEMBL3742310

Nc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 2/20 0.53
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BACE1 P56817 1/20 0.49
GPR35 Q9HC97 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.47
RECQL P46063 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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
SCHEMBL20788508 0.85 MAPT (0.56) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL29622134 0.83 ALDH1A1 (0.64) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL24928 0.83 ALDH1A1 (0.64) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL5857819 0.81 PDE7A (0.55) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL11715342 0.81 MAPT (0.56) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL29577003 0.80 TSHR (0.56) TSHRMAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL213758 0.80 TSHR (0.56) TSHRMAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL68980 0.78 GPR35 (0.67) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL121896 0.78 TDP1 (1.00) TDP1TSHRMAPK1MAPTLMNA
SCHEMBL3973537 0.78 MAPT (0.69) TDP1TSHRMAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820302-A Ratio type nitric oxide response near infrared fluorescent molecular probe and preparation method and application thereof 中国药科大学 2024-04-05 CN claimed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
EP-0279016-B2 Powdered hair dye HOYU KK (JP) 1995-04-05 EP claimed
US-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US claimed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US claimed
US-4323360-A Dyeing compositions for hair which contain 2,4-diamino-butoxybenzene and/or a salt thereof as the coupling agent L'OREAL (FR) 1982-04-06 US claimed
CN-120136896-A Disubstituted benzimidazole compound and application thereof 暨南大学 2025-06-13 CN disclosed
CN-120136897-A 2, 8-Disubstituted quinoline macrocyclic compound and application thereof 暨南大学 2025-06-13 CN disclosed
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
CN-117820302-A Ratio type nitric oxide response near infrared fluorescent molecular probe and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
WO-2024041609-A1 BENZO BICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 广州市联瑞制药有限公司 2024-02-29 WO disclosed
CN-116655618-A Probes for imaging huntingtin CHDI基金会股份有限公司 2023-08-29 CN disclosed
US-4419101-A Chlorine-substituted nitro-para-phenylenediamines, a process for their preparation and their use in dyeing keratin fibres L'OREAL (FR) 1983-12-06 US disclosed
US-4417896-A NITRO-,AMINO-,PHENOXYALKANOLS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-11-29 US disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 US disclosed
US-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-3969526-A Anthelmintic 5-heterocycliothio and oxy-2-carbalkoxyaminobenzimidazles SMITHKLINE CORPORATION (US) 1976-07-13 US disclosed

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

For each of this compound's patents that has machine-readable text (1 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-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 TDP1 540/4885TSHR 3168/4885MAPK1 1219/4885

“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.