SCHEMBL38446

SCHEMBL38446

COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 1/20 0.58
POLB P06746 2/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
RECQL P46063 1/20 0.52
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
TPMT P51580 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
AHR P35869 1/20 0.49

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
SCHEMBL583563 1.00 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
Hydrochloric Acid SCHEMBL11278994 0.98 HTT (0.57) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL561284 0.93 HTT (0.64) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8413418 0.92 HTT (0.51) HTTSMN1; SMN2GAAPOLBMEN1
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.89 SMN1; SMN2 (0.60) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL8762477 0.88 HTT (0.59) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL16960801 0.86 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL4731202 0.86 HTT (0.58) HTTSMN1; SMN2GAAPOLBMEN1
SCHEMBL232779 0.85 TP53 (0.64) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL30917332 0.85 SMN1; SMN2 (0.57) HTTSMN1; SMN2GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344743-B High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-11-26 CN claimed
CN-118344743-A High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-07-16 CN claimed
CN-115521228-B BChE and HDAC double-target inhibitor and preparation method and application thereof 中国药科大学 2023-08-22 CN claimed
CN-115521228-A BChE and HDAC double-target inhibitor and preparation method and application thereof 中国药科大学 2022-12-27 CN claimed
CN-112851537-A Contrast agent iopromide intermediate and preparation method and application thereof 施一新 2021-05-28 CN claimed
EP-4172139-B1 PROCESS FOR THE PREPARATION OF IOPAMIDOL GE HEALTHCARE AS (NO) 2025-09-24 EP disclosed
US-20250115634-A1 LIGAND, METHOD FOR PREPARING SAME, AND USE THEREOF LNCTAC CO., LTD. (CN) 2025-04-10 US disclosed
WO-2025045826-A1 COMPOUNDS FOR ACTIVATION OF FGFR1 SIGNALING THE CULTIVATED B. GMBH (DE) 2025-03-06 WO disclosed
CN-116478129-B Quinoline compound and use thereof 深圳默元生物科技有限公司 2025-01-07 CN disclosed
US-20240425445-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & CO (US) 2024-12-26 US disclosed
CN-118344743-B High-viscosity modified asphalt and preparation method thereof 南京航空航天大学 2024-11-26 CN disclosed
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
US-4364921-A RADIOPACITY SCHERING, AKTIENGESELLSCHAFT (DE) 1982-12-21 US disclosed
EP-0015867-B1 DIAMIDES OF TRIIODO-ISOPHTHALIC ACIDS, THEIR PREPARATION AND X-RAY CONTRAST AGENTS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1982-05-19 EP disclosed
EP-0015867-A1 Diamides of triiodo-isophthalic acids, their preparation and X-ray contrast agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-09-17 EP disclosed
US-4138589-A CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1979-02-06 US disclosed
US-4132731-A X-RAY CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1979-01-02 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed
US-4066743-A TRIIODOBENZOIC ACID DERIVATIVES MALLINCKRODT, INC. (US) 1978-01-03 US disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 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 (3 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-20240425445-A1 TRISAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME PTAR1, TIPRL, TCOF1 HTT 466/4885SMN1; SMN2 2156/4885GAA 1590/4885
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 HTT 1201/4885SMN1; SMN2 2963/4885GAA 7/4885
US-20250115634-A1 LIGAND, METHOD FOR PREPARING SAME, AND USE THEREOF SIGLEC7, ASGR1, ADGRF1 HTT 4745/4885SMN1; SMN2 4428/4885GAA 1093/4885

“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.