SCHEMBL5952352

SCHEMBL5952352

Nc1ccc(-c2ccccc2F)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTPRC P08575 1/20 0.52
PTPN1 P18031 1/20 0.52
MAP4K4 O95819 1/20 0.50
FEN1 P39748 5/20 0.49
ALOX5AP P20292 4/20 0.49
ACMSD Q8TDX5 1/20 0.46
TRPA1 O75762 1/20 0.45
PDK2 Q15119 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA1 P30542 1/20 0.42
PGR P06401 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL29655115 1.00 BACE1 (0.53) BACE1MEN1KMT2ATDP1PTPRC
SCHEMBL29655190 1.00 BACE1 (0.53) BACE1MEN1KMT2ATDP1PTPRC
Ammonia Solution, Strong SCHEMBL5953223 0.98 BACE1 (0.51) BACE1MEN1KMT2ATDP1PTPRC
SCHEMBL15250336 0.88 BACE1 (0.53) BACE1TDP1PTPRCPTPN1MAP4K4
SCHEMBL29655217 0.84 MEN1 (0.48) BACE1MEN1KMT2ATDP1PTPRC
SCHEMBL23040370 0.82 TNKS (0.49) BACE1TDP1PTPRCPTPN1MAP4K4
SCHEMBL5843391 0.82 ALOX15 (0.57) BACE1MEN1KMT2APTPRCPTPN1
SCHEMBL29878768 0.82 ALOX15 (0.57) BACE1MEN1KMT2APTPRCPTPN1
SCHEMBL5556308 0.80 MEN1 (0.59) MEN1KMT2ATDP1FEN1ALOX5AP
SCHEMBL28602582 0.80 BACE1 (0.46) BACE1PTPRCPTPN1MAP4K4FEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 BACE1 3557/4885MEN1 2639/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A BACE1 3253/4885MEN1 1460/4885KMT2A 1844/4885

“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.