SCHEMBL6307394

SCHEMBL6307394

CC=C(C)c1cc(N)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
THRB P10828 3/20 0.50
RECQL P46063 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
CASP1 P29466 4/20 0.38
ALDH1A1 P00352 8/20 0.36
ALOX15 P16050 4/20 0.36
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL6307392 1.00 MAPT (0.50) MAPTTHRBRECQLKMT2ATDP1
Hydrochloric Acid SCHEMBL6310605 0.98 MAPT (0.53) MAPTTHRBRECQLKMT2ATDP1
Hydrochloric Acid SCHEMBL6310602 0.98 MAPT (0.53) MAPTTHRBRECQLKMT2ATDP1
SCHEMBL27352743 0.77 PDE10A (0.48) MAPTTHRBKMT2AMEN1CASP1
SCHEMBL14064972 0.77 PDE10A (0.48) MAPTTHRBKMT2AMEN1CASP1
SCHEMBL6311663 0.76 ALDH1A1 (0.38) MAPTTHRBRECQLKMT2ATDP1
SCHEMBL6311659 0.76 ALDH1A1 (0.38) MAPTTHRBRECQLKMT2ATDP1
SCHEMBL22890834 0.76 THRB (0.52) MAPTTHRBRECQLKMT2ATDP1
SCHEMBL1682394 0.76 KMT2A (0.63) MAPTTHRBRECQLKMT2ATDP1
SCHEMBL31268209 0.76 KMT2A (0.63) MAPTTHRBRECQLKMT2ATDP1

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
US-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US claimed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 EP claimed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 US claimed
US-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 EP disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 MAPT 818/4885THRB 3258/4885RECQL 1486/4885

“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.