SCHEMBL1955751

SCHEMBL1955751

Cc1ncn(-c2ccccc2C=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 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
SCHEMBL16279396 0.81 SRC (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10153124 0.78 ALOX5AP (0.33) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL1956778 0.78 ERN1 (0.40) ALDH1A1TSHRLMNATDP1HPGD
SCHEMBL4556380 0.78 TRIM24 (0.42) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL16201996 0.77 FLT3 (0.44) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL28917820 0.76 MEN1 (0.35) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL8304274 0.76 XDH (0.42) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6124694 0.75 MEN1 (0.33) MEN1KMT2A
SCHEMBL30725606 0.74 BCHE (0.40) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL12528439 0.74 BCHE (0.40) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E

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
EP-2509975-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2014-04-23 EP disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
EP-2509975-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 WO disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 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-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 ALDH1A1 552/4885TSHR 2016/4885MEN1 2391/4885

“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.