SCHEMBL5952798

SCHEMBL5952798

Cc1ccc(-c2cc(N)c(N)c(N)c2N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BACE1 P56817 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 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
SCHEMBL10829083 0.83 TDP1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL4294691 0.82 TDP1 (0.46) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL7499973 0.80 TDP1 (0.41) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29404967 0.79 NPC1 (0.44) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL13515175 0.79 ACHE (0.48) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL5952748 0.78 AHR (0.42) NPC1RAB9ATDP1SMN1; SMN2CYP3A4
SCHEMBL29367789 0.77 ALDH1A1 (0.52) MEN1KMT2ATDP1CYP3A4ALOX15
SCHEMBL560129 0.77 ALDH1A1 (0.52) MEN1KMT2ATDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL4521255 0.76 HSD17B10 (0.50) MEN1KMT2ATDP1CYP3A4ALOX15
Methane SCHEMBL22720569 0.76 ALDH1A1 (0.50) MEN1KMT2ATDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3302/4885RAB9A 810/4885MEN1 2639/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885RAB9A 955/4885MEN1 1460/4885

“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.