SCHEMBL4612282

SCHEMBL4612282

Nc1ccc(N)c(-c2ncc(Cl)s2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
THRB P10828 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 4/20 0.32
GAA P10253 4/20 0.32
MAPT P10636 4/20 0.32
RAB9A P51151 4/20 0.32
MEN1 O00255 3/20 0.32
POLB P06746 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL4614810 0.79 NOS1 (0.42) ALDH1A1THRBALOX15CASP1HSD17B10
SCHEMBL6316444 0.74 PTPN1 (0.50) ALDH1A1CYP3A4CASP1HSD17B10HPGD
SCHEMBL4614202 0.73 ALDH1A1 (0.50) ALDH1A1THRBCYP3A4TSHRALOX15
SCHEMBL2667905 0.72 MAP4K4 (0.49) ALDH1A1CYP3A4CASP1HSD17B10HPGD
SCHEMBL4612733 0.70 MAPT (0.35) ALDH1A1THRBCYP3A4TSHRALOX15
SCHEMBL457582 0.68 HSP90AA1 (0.43) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL3338155 0.67 CASP1 (0.46) ALDH1A1THRBCYP3A4TSHRALOX15
Hydrochloric Acid SCHEMBL4612966 0.67 HSP90AA1 (0.42) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL7086514 0.67 IDO1 (0.46) ALDH1A1THRBCYP3A4TSHRALOX15
SCHEMBL7086055 0.67 PIK3CD (0.52) ALDH1A1THRBCYP3A4TSHRALOX15

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 3 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
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 (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 ALDH1A1 20/4885THRB 2455/4885CYP3A4 992/4885

“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.