SCHEMBL8009042

SCHEMBL8009042

CNC(=O)NCc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.66
ALDH1A1 P00352 3/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 2/20 0.66
LMNA P02545 1/20 0.66
KDM4E B2RXH2 1/20 0.66
GAA P10253 1/20 0.66
PKM P14618 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 3/20 0.64
USP2 O75604 2/20 0.60
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
TSHR P16473 1/20 0.55
NR1I3 Q14994 1/20 0.55

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
SCHEMBL14142610 0.89 LMNA (0.80) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7746955 0.83 LMNA (0.67) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL9667164 0.82 LMNA (0.71) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL885325 0.81 POLB (0.68) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL6077138 0.81 LMNA (0.65) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL18415485 0.81 POLB (0.72) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL3561734 0.79 POLB (0.70) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL14595483 0.79 POLB (0.54) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL33527951 0.79 POLB (0.64) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL1709325 0.79 HPGD (0.72) HPGDALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP disclosed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US disclosed
US-5756480-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1998-05-26 US disclosed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US disclosed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015305-A1 TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO 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-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HPGD 2929/4885ALDH1A1 165/4885KMT2A 4011/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 HPGD 2929/4885ALDH1A1 165/4885KMT2A 4011/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB HPGD 1487/4885ALDH1A1 115/4885KMT2A 4787/4885

“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.