SCHEMBL3566684

SCHEMBL3566684

Cc1ccc(N(S)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL725811 0.89 MAPT (0.32) ALOX5ALDH1A1TSHR
SCHEMBL3615251 0.80 ALDH1A1 (0.41) ALDH1A1TSHRLMNARAB9A
SCHEMBL3606664 0.80 CA2 (0.40) ALDH1A1LMNARAB9A
SCHEMBL4645773 0.79 NOS3 (0.47) ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL449124 0.78
SCHEMBL526060 0.78 NPC1 (0.42) ALDH1A1TSHRLMNACES2CES1
SCHEMBL4929960 0.78 TPMT (0.38) ALOX5ALDH1A1TSHR
SCHEMBL320721 0.78 KCNN4 (0.42) ALDH1A1CES2CES1
SCHEMBL4920991 0.78 ALOX5 (0.43) ALOX5ALDH1A1LMNACES2CES1
SCHEMBL526027 0.78 CA1 (0.52) ALOX5CES2CES1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1406110-A Enhancement of seed/fruit/nut yield from flowering plants UNIROYAL CHEM CO INC (US) 2003-03-26 CN claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-20040116490-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 US disclosed
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP disclosed
EP-1381360-A1 COMPOUNDS AND METHODS FOR INHIBITING METAP2 IN MAMMALS SmithKline Beecham Corporation (US) 2004-01-21 EP disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO disclosed
WO-2002078697-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885ALDH1A1 450/4885TSHR 4335/4885
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 ALOX5 3341/4885ALDH1A1 1965/4885TSHR 4442/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885ALDH1A1 450/4885TSHR 4335/4885

“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.