SCHEMBL9722790

SCHEMBL9722790

COc1cc2nc(N)sc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FTO Q9C0B1 2/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
PIK3CD O00329 3/20 0.48
PI4KA P42356 3/20 0.48
PI4KB Q9UBF8 3/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIP5K1C O60331 2/20 0.48
PIK3CG P48736 2/20 0.48
STING1 Q86WV6 1/20 0.48

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
SCHEMBL31114638 1.00 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL31081320 0.89 CYP3A4 (0.49) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL9722731 0.89 CYP3A4 (0.56) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL8435128 0.87 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11685051 0.87 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11336182 0.87 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2678487 0.86 ILK (0.56) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12235989 0.86 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2552313 0.86 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21091211 0.86 CYP3A4 (0.53) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-12-17 US claimed
US-10647689-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-05-12 US claimed
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2018-05-03 US claimed
WO-2016176473-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF SANFORD-BURNHAM MEDICAL RESEARC INSTITUTE (US) 2016-11-03 WO claimed
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INST NAT SANTE RECH MED (FR) 2025-12-18 US disclosed
WO-2025054238-A1 MULTI-TARGET DIRECTED LIGANDS FOR ALZHEIMER'S DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-03-13 WO disclosed
EP-4460500-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2024-11-13 EP disclosed
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-12-07 US disclosed
US-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 US disclosed
WO-2023131649-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-07-13 WO disclosed
US-20230210966-A1 EXPANSION OF TUMOR INFILTRATING LYMPHOCYTES WITH POTASSIUM CHANNEL AGONISTS AND THERAPEUTIC USES THEREOF LION BIOTECHNOLOGIES, INC. 2023-07-06 US disclosed
US-11673873-B2 Apelin receptor agonists and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-06-13 US disclosed
US-4507477-A CYCLIZATION RIKER LABORATORIES, INC. (US) 1985-03-26 US disclosed
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4233214-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4036826-A Cationic azo dyestuffs with a hydroxyalkylated ammonium group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 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 (8 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-20230339872-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA CYP3A4 4277/4885CYP1A2 3488/4885CYP2C19 4273/4885
US-20230210966-A1 EXPANSION OF TUMOR INFILTRATING LYMPHOCYTES WITH POTASSIUM CHANNEL AGONISTS AND THERAPEUTIC USES THEREOF KCNN3, KCNK3, KCNA3 CYP3A4 4471/4885CYP1A2 4617/4885CYP2C19 4611/4885
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS BBOX1, NDUFB6, NDUFB5 CYP3A4 343/4885CYP1A2 57/4885CYP2C19 551/4885
US-20200392092-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA CYP3A4 4277/4885CYP1A2 3488/4885CYP2C19 4273/4885
US-11673873-B2 Apelin receptor agonists and methods of use thereof APLNR, APMAP, EDNRA CYP3A4 4277/4885CYP1A2 3488/4885CYP2C19 4273/4885
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR CYP3A4 22/4885CYP1A2 174/4885CYP2C19 14/4885
US-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA CYP3A4 4277/4885CYP1A2 3488/4885CYP2C19 4273/4885
US-10647689-B2 Apelin receptor agonists and methods of use thereof APLNR, APMAP, EDNRA CYP3A4 4277/4885CYP1A2 3488/4885CYP2C19 4273/4885

“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.