SCHEMBL1497985

SCHEMBL1497985

O=c1cc[nH]c2ccsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.40
ALDH1A1 P00352 1/20 0.38
DAO P14920 1/20 0.38
PARP1 P09874 1/20 0.37
CCR8 P51685 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EGFR P00533 1/20 0.31
FLT1 P17948 1/20 0.31

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
SCHEMBL3840439 0.74 CYP1A2 (0.36) PDPK1ALDH1A1PARP1CCR8CYP1A2
SCHEMBL220723 0.67
SCHEMBL1457910 0.67 PDPK1 (0.52) PDPK1ALDH1A1DAOPARP1HTR2A
SCHEMBL5039480 0.67
SCHEMBL3842031 0.66 CYP1A2 (0.36) ALDH1A1PARP1CCR8KMT2AHSD17B10
SCHEMBL2156749 0.65
SCHEMBL169946 0.65 CCR8 (0.46) ALDH1A1DAOPARP1CCR8HTR2A
SCHEMBL16152549 0.65
SCHEMBL390375 0.65 PARP1 (0.46) PDPK1DAOPARP1
Hydrochloric Acid SCHEMBL391441 0.64 PARP1 (0.44) PDPK1DAOPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259115-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER Crestone, Inc. (US) 2023-10-18 EP claimed
WO-2022125691-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2022-06-16 WO claimed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP claimed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed
US-20240000756-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2024-01-04 US disclosed
EP-4259115-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER Crestone, Inc. (US) 2023-10-18 EP disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
WO-2022125691-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2022-06-16 WO disclosed
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections Janssen Biopharma, Inc. (US) 2021-05-25 US disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 WO disclosed
CN-1019491-B PREPAPARATION OF THIOPHENE-PYRIDONE USED AS NEW THERAPEUTIC AGENTS BOOTS CO PLC (GB) 1992-12-16 CN disclosed
EP-0223420-B1 CONDENSED IMIDAZOPYRIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed
US-4753951-A ANTIDEPRESSANTS, ANXIOLYTICS SHIONOGI & CO., LTD. (JP) 1988-06-28 US disclosed
EP-0223420-A1 Condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 1987-05-27 EP 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 (5 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PDPK1 12/4885ALDH1A1 2379/4885DAO 3603/4885
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS MAVS, SARS1, ZC3HAV1 PDPK1 1637/4885ALDH1A1 3714/4885DAO 1333/4885
US-11014935-B2 Compounds for the treatment of paramyxovirus viral infections MAVS, SARS1, ZC3HAV1 PDPK1 1637/4885ALDH1A1 3714/4885DAO 1333/4885
US-20240000756-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER MTR, GARS1, AANAT PDPK1 4448/4885ALDH1A1 1171/4885DAO 43/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PDPK1 12/4885ALDH1A1 2379/4885DAO 3603/4885

“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.