SCHEMBL7003112

SCHEMBL7003112

CN(C)c1ccc(C2=C3C(=O)N(CCCCBr)C(c4ccc(N(C)C)cc4)=C3C(=O)N2CCCCBr)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 3/20 0.35
GAA P10253 3/20 0.35
THRB P10828 3/20 0.35
RECQL P46063 3/20 0.35
BLM P54132 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
ALOX12 P18054 2/20 0.35
PPARG P37231 2/20 0.35
MCL1 Q07820 2/20 0.35
NCOA2 Q15596 2/20 0.35
NCOA1 Q15788 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL10066168 0.84 ALDH1A1 (0.44) ALDH1A1MAPTMEN1POLBGAA
SCHEMBL7001391 0.83 TERT (0.42) ALDH1A1MAPTMEN1POLBGAA
SCHEMBL7004036 0.80 LCK (0.42) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL22432734 0.79 TSHR (0.36) ALDH1A1MAPTKMT2AHDAC1TSHR
SCHEMBL23954161 0.79 ALDH1A1 (0.38) ALDH1A1MAPTMEN1GAARECQL
SCHEMBL13340735 0.77 ALDH1A1 (0.37) ALDH1A1MAPTMEN1POLBGAA
SCHEMBL7008226 0.75 CHKA (0.48) ALDH1A1MAPTSMN1; SMN2MAOBLMNA
SCHEMBL13340756 0.75 HTT (0.40) ALDH1A1MAPTPOLBGAAMCL1
SCHEMBL23954383 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1POLBGAA
SCHEMBL13340749 0.71 MAPT (0.37) ALDH1A1MAPTL3MBTL1

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-1185531-B1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AG (DE) 2003-10-29 EP disclosed
US-6570019-B2 Hair dyes; uniformity, stability WELLA AG (DE) 2003-05-27 US disclosed
US-20030055268-A1 Cationic pyrrolo-pyrrol-derivatives, method for producing them and colorants for keratin fibres, containing these compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-03-20 US disclosed
EP-1185531-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-13 EP disclosed
WO-2001062759-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 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-20030055268-A1 Cationic pyrrolo-pyrrol-derivatives, method for producing them and colorants for keratin fibres, containing these compounds KRT18, IK, PYCR1 ALDH1A1 1647/4885MAPT 2160/4885MEN1 4674/4885

“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.