SCHEMBL6312324

SCHEMBL6312324

C/C=C\c1cc(NCCO)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ FCGR3B O75015 1/20 0.32
▸ FCGR1A P12314 1/20 0.32
▸ FCGR2A P12318 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ APP P05067 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL6312329 1.00 MEN1 (0.37) MEN1KMT2APOLBMMP14BLM
SCHEMBL6389002 0.81 MEN1 (0.38) MEN1KMT2APOLBMMP14BLM
SCHEMBL6388999 0.81 MEN1 (0.38) MEN1KMT2APOLBMMP14BLM
SCHEMBL20624882 0.76 ALDH1A1 (0.42) MEN1KMT2APOLBMMP14BLM
SCHEMBL6304570 0.76 MEN1 (0.32) MEN1KMT2APOLBMMP14BLM
SCHEMBL6304569 0.76 MEN1 (0.32) MEN1KMT2APOLBMMP14BLM
SCHEMBL6342530 0.75 ALDH1A1 (0.54) MEN1KMT2APOLBMMP14BLM
SCHEMBL8282316 0.73 ALDH1A1 (0.43) MEN1KMT2APOLBMMP14BLM
SCHEMBL28856678 0.73 MEN1 (0.44) MEN1KMT2APOLBMMP14BLM
SCHEMBL6311346 0.72 S100B (0.37) MEN1KMT2APOLBMMP14ALDH1A1

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 2 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 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 MEN1 4236/4885KMT2A 3908/4885POLB 118/4885

“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.

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