SCHEMBL3294672

SCHEMBL3294672

CC(C)(c1ccccc1)n1nnc(CC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.35
DAGLA Q9Y4D2 3/20 0.35
CNR2 P34972 1/20 0.35
P2RX7 Q99572 1/20 0.34
AKR1B1 P15121 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGLL Q99685 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 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
SCHEMBL418509 0.90 POLB (0.46) POLBSMN1; SMN2HPGDCYP2C19HIF1A
SCHEMBL2897339 0.85 HPGD (0.42) POLBSMN1; SMN2HPGDCYP2C19HIF1A
SCHEMBL15247692 0.80 ATM (0.34) POLBSMN1; SMN2HPGDKMT2ACNR2
SCHEMBL3295866 0.79 POLB (0.35) POLBSMN1; SMN2CYP2C19HIF1ADAGLA
SCHEMBL2529821 0.79 TRPV1 (0.43) DAGLACNR2TRPV1MGLL
SCHEMBL1059718 0.70 HPGD (0.74) POLBHPGDKMT2AMAPTAKR1B1
SCHEMBL1121836 0.68 NOTUM (0.35) POLBSMN1; SMN2HPGDCYP1A2DAGLA
SCHEMBL752388 0.67 POLB (0.33) POLBSMN1; SMN2KMT2ADAGLACNR2
SCHEMBL3453024 0.67 POLB (0.39) POLBSMN1; SMN2HPGDCYP1A2DAGLA
SCHEMBL6156586 0.65 POLB (0.47) POLBSMN1; SMN2HPGDMAPTMGLL

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
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 US 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 (5 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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 POLB 4221/4885SMN1; SMN2 512/4885HPGD 2846/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 POLB 4221/4885SMN1; SMN2 512/4885HPGD 2846/4885
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD POLB 2945/4885SMN1; SMN2 4224/4885HPGD 1720/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 POLB 4221/4885SMN1; SMN2 512/4885HPGD 2846/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 POLB 4325/4885SMN1; SMN2 404/4885HPGD 3042/4885

“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.