SCHEMBL5951950

SCHEMBL5951950

O=C(NC1CC1)c1c[nH]nc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
P2RX7 Q99572 1/20 0.39
CD38 P28907 3/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPK8 P45983 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CRHR1 P34998 1/20 0.37
CRHR2 Q13324 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36

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
SCHEMBL13374017 0.90 KDM1A (0.40)
SCHEMBL5952390 0.80 CNR2 (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1KMT2A
SCHEMBL1609102 0.78 NPC1 (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1HPGD
SCHEMBL13374013 0.75 MAPK1 (0.46) ALDH1A1HPGDKDM4EGAAPOLB
SCHEMBL5952351 0.75 DPP4 (0.43) ALDH1A1HPGDADRA1DADRA1AADRA1B
SCHEMBL5952484 0.75 HPGD (0.42) TAS1R3TAS1R1TAS1R2ALDH1A1HPGD
SCHEMBL5952364 0.74 ALDH1A1 (0.40) ALDH1A1ADRA1DADRA1AADRA1BKDM4E
SCHEMBL875174 0.74 NPC1 (0.40) TAS1R3TAS1R1TAS1R2ALDH1A1HPGD
SCHEMBL5951752 0.72 HCAR2 (0.37) ALDH1A1KMT2AKDM4EPOLB
SCHEMBL29391341 0.71 IKBKB (0.36) ALDH1A1HPGDKDM4EGAA

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 7 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-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 TAS1R3 3280/4885TAS1R1 3308/4885TAS1R2 3749/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A TAS1R3 2428/4885TAS1R1 1494/4885TAS1R2 2912/4885

“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.