SCHEMBL4613489

SCHEMBL4613489

Nc1ccc(NCCO)cc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CASP6 P55212 1/20 0.38
HDAC2 Q92769 2/20 0.37
CHEK2 O96017 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
GCK P35557 1/20 0.34
SYK P43405 4/20 0.34
HSP90AA1 P07900 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL4613518 0.79 ADRB2 (0.40) ADORA2AADORA1HDAC2CHEK2LOXL2
SCHEMBL4614878 0.76 CHEK2 (0.36) ADORA2AADORA1CASP6HDAC2CHEK2
SCHEMBL7805911 0.75 ADORA1 (0.43) ADORA2AADORA1HDAC2HDAC3HDAC4
SCHEMBL11896552 0.73 GCK (0.50) HDAC2LOXL2GCKHSP90AA1CYP1A1
SCHEMBL6570757 0.73 FCGR3B (0.39) CASP6CYP2D6ALDH1A1GAA
SCHEMBL996582 0.73 F2RL1 (0.49) ADORA2AADORA1CASP6HDAC2CHEK2
SCHEMBL457582 0.73 HSP90AA1 (0.43) ADORA2AADORA1HDAC2CHEK2LOXL2
SCHEMBL7466260 0.72 EEF2K (0.42) HDAC2CHEK2HDAC1HDAC6CHEK1
Hydrochloric Acid SCHEMBL10517968 0.72 F2RL1 (0.48) ADORA2AADORA1CASP6HDAC2CHEK2
SCHEMBL6572467 0.72 ALDH1A1 (0.37) CASP6HSP90AA1CYP2D6NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005065686-A1 DIFFERENTIATION MODULATING AGENTS AND USES THEREFOR ADIPOGEN PHARMACEUTICALS PTY LIMITED (AU) 2005-07-21 WO 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
EP-1351945-A1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-10-15 EP 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
WO-2002057243-A1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-07-25 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 (1 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-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds KRT18, DSP, TUBB1 ADORA2A 4262/4885ADORA1 3505/4885CASP6 678/4885

“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.