SCHEMBL6311357

SCHEMBL6311357

C=CCc1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRB2 P47870 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
S100B P04271 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL826006 0.82 KMT2A (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL27494177 0.80 MAPT (0.39) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11467967 0.79 PTPN1 (0.34) GABRA1GABRB2S100B
SCHEMBL5348348 0.79 S100B (0.43) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL16815119 0.76 KMT2A (0.42) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL11467966 0.74 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8061571 0.73 S100B (0.49) KMT2AMAPTMEN1TDP1S100B
SCHEMBL6429126 0.73 TDP1 (0.39) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6312333 0.72 MEN1 (0.35) KMT2AMAPTMEN1LMNAGABRA1
SCHEMBL7494519 0.72 TDP1 (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2

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
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
EP-1351921-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2003-10-15 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
WO-2002057214-A1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 KMT2A 3908/4885MAPT 818/4885MEN1 4236/4885

“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.