SCHEMBL1822397

SCHEMBL1822397

Cc1csc(-c2cc(N)ccc2N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NOS1 P29475 1/20 0.44
GCK P35557 3/20 0.43
PDE10A Q9Y233 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
PLAU P00749 1/20 0.39
TGFBR1 P36897 1/20 0.39
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38
MIF P14174 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 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
SCHEMBL829862 0.79 PDE10A (0.53) SMN1; SMN2NOS1PDE10AGLACYP3A4
SCHEMBL4612733 0.79 MAPT (0.35) SMN1; SMN2GCKGLACYP3A4CYP2C9
SCHEMBL1818589 0.78 RAB9A (0.55) SMN1; SMN2PLAUKDM4EALDH1A1MEN1
SCHEMBL1820141 0.77 C1S (0.49) SMN1; SMN2KDM4ELMNAMEN1TP53
SCHEMBL996759 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NOS1GCKPDE10AGLA
SCHEMBL13680611 0.76 CYP3A4 (0.51) SMN1; SMN2NOS1PDE10AGLACYP3A4
SCHEMBL1822623 0.75 GLA (0.38) GCKGLAKDM4EPOLBHSD17B10
SCHEMBL20156028 0.74 CYP3A4 (0.53) SMN1; SMN2NOS1PDE10AGLACYP3A4
SCHEMBL18175150 0.74 TSHR (0.57) SMN1; SMN2NOS1PDE10AGLACYP3A4
SCHEMBL4612242 0.74 NOS1 (0.39) SMN1; SMN2NOS1PDE10AGLACYP2A6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 EP claimed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 WO claimed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
US-6875873-B2 1,4-Diamino-2-(thiazol-2-yl)benzene derivatives, and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-04-05 US claimed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US disclosed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP disclosed
US-6875873-B2 1,4-Diamino-2-(thiazol-2-yl)benzene derivatives, and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-04-05 US disclosed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 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 (2 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-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 SMN1; SMN2 2958/4885NOS1 3277/4885GCK 1215/4885
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds KRT18, DSP, TUBB1 SMN1; SMN2 3092/4885NOS1 654/4885GCK 817/4885

“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.