SCHEMBL4612733

SCHEMBL4612733

Nc1ccc(N)c(-c2nc(Cl)cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 6/20 0.35
NPC1 O15118 6/20 0.35
GAA P10253 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 4/20 0.35
THRB P10828 3/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 4/20 0.34
HSD17B10 Q99714 4/20 0.34

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
SCHEMBL1822397 0.79 SMN1; SMN2 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1822623 0.75 GLA (0.38) MAPTKDM4EGAAPOLBHSD17B10
SCHEMBL1823007 0.73 KDM4E (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1821128 0.73 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1818589 0.71 RAB9A (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29654019 0.71 HSP90AA1 (0.46) ALDH1A1RAB9AHSD17B10TSHRCDK5
SCHEMBL1822088 0.71 KDM4E (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12446486 0.71 GFER (0.34) ALDH1A1KDM4ERAB9ASMN1; SMN2TDP1
SCHEMBL1820141 0.70 C1S (0.49) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL207728 0.70 CYP19A1 (0.59) MAPTALDH1A1MEN1KMT2AKDM4E

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 5 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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO 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 MAPT 675/4885ALDH1A1 20/4885MEN1 4679/4885

“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.