SCHEMBL6312333

SCHEMBL6312333

C=CCc1cc(NCCO)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PRSS1 P07477 9/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
TMPRSS6 Q8IU80 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
POLB P06746 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 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
SCHEMBL6696938 0.81 ABL1 (0.43) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL8518280 0.76 ALDH1A1 (0.38) MEN1KMT2AMAPK1ALDH1A1PRSS1
SCHEMBL20624882 0.76 ALDH1A1 (0.42) MEN1KMT2AMAPK1ALDH1A1PRSS1
Sulfuric Acid SCHEMBL10792543 0.74 ALDH1A1 (0.40) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL27233666 0.73 MAPT (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL6272263 0.73 ADRA2B (0.44) MEN1KMT2AMAPTALDH1A1PRSS1
SCHEMBL28856678 0.73 MEN1 (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL8282316 0.73 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL7951486 0.72 MAPT (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL6311357 0.72 KMT2A (0.35) MEN1KMT2AMAPTMAPK1GABRA1

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 3908/4885MAPT 818/4885

“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.