SCHEMBL4614878

SCHEMBL4614878

Nc1ccc(N(CCO)CCO)cc1-c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
HDAC2 Q92769 2/20 0.34
F2RL1 P55085 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CASP6 P55212 1/20 0.33
SLC6A9 P48067 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 2/20 0.32
GCK P35557 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
PDPK1 O15530 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7460447 0.77 S100B (0.36) KMT2AMEN1MAPTLMNATP53
SCHEMBL4613489 0.76 ADORA2A (0.44) CHEK2LOXL2HDAC2HSP90AA1CASP6
SCHEMBL7800733 0.76 CYP2A6 (0.40) KMT2AMEN1MAPTLMNATP53
SCHEMBL7461570 0.76 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7807514 0.75 NPC1 (0.41) HDAC2KMT2AMEN1MAPTADORA2A
SCHEMBL7459856 0.75 S100B (0.35) KMT2AMEN1MAPTLMNATP53
SCHEMBL7812166 0.75 KMT2A (0.32) KMT2AMEN1MAPTLMNATP53
SCHEMBL7460055 0.75 MAPT (0.34) KMT2AMEN1MAPTLMNATP53
SCHEMBL7812328 0.74 S100B (0.31) KMT2AMEN1MAPTLMNATP53
SCHEMBL7808530 0.74 S100B (0.34) KMT2AMEN1MAPTLMNATP53

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-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 CHEK2 306/4885LOXL2 805/4885HDAC2 1657/4885

“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.