SCHEMBL3000943

SCHEMBL3000943

CC(=O)c1sc(C(N)=O)nc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
RXFP1 Q9HBX9 2/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 6/20 0.44
DHODH Q02127 4/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL13165457 0.85 RXFP1 (0.49) SMN1; SMN2RXFP1CYP1A2GAACYP2C9
SCHEMBL5875841 0.84 SMN1; SMN2 (0.36) SMN1; SMN2RXFP1CYP1A2GAACYP2C9
SCHEMBL31675965 0.84 ALDH1A1 (0.55) SMN1; SMN2CYP1A2GAAALDH1A1RAB9A
SCHEMBL3591349 0.79 HTR2C (0.48) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL6114286 0.78 MAPT (0.49) SMN1; SMN2CYP1A2GAAALDH1A1RAB9A
SCHEMBL2677906 0.77 NOS1 (0.44) SMN1; SMN2RXFP1CYP1A2GAAALDH1A1
Bromide SCHEMBL6114352 0.77 MAPT (0.48) SMN1; SMN2CYP1A2GAAALDH1A1RAB9A
SCHEMBL211474 0.75 ALDH1A1 (0.63) SMN1; SMN2RXFP1CYP1A2GAACYP2C9
SCHEMBL6114078 0.74 ALDH1A1 (0.53) RXFP1CYP1A2GAAALDH1A1RAB9A
SCHEMBL17425247 0.74 ALDH1A1 (0.40) SMN1; SMN2RXFP1CYP1A2GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US claimed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US claimed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN claimed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP claimed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US claimed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO claimed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
CN-1440402-A N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 CN disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 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 (6 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 SMN1; SMN2 3813/4885RXFP1 345/4885CYP1A2 2671/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 SMN1; SMN2 3813/4885RXFP1 345/4885CYP1A2 2671/4885
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP SMN1; SMN2 106/4885RXFP1 37/4885CYP1A2 3772/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SMN1; SMN2 3033/4885RXFP1 3547/4885CYP1A2 3664/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 SMN1; SMN2 3033/4885RXFP1 3547/4885CYP1A2 3664/4885
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 SMN1; SMN2 4061/4885RXFP1 330/4885CYP1A2 1901/4885

“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.