SCHEMBL1955351

SCHEMBL1955351

COC(=O)c1ccccc1C(=O)/C=C/N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ MAPT P10636 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CFTR P13569 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ GAA P10253 2/20 0.44

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
SCHEMBL1955354 1.00 RECQL (0.54) RECQLALDH1A1POLBSMN1; SMN2RAB9A
Dimethyl Phthalate SCHEMBL28275803 0.80 TSHR (0.57) ALDH1A1POLBSMN1; SMN2MAPTHPGD
SCHEMBL2210460 0.80 ABCG2 (0.64) RECQLALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL2210467 0.80 ABCG2 (0.64) RECQLALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL8304463 0.79 MAPT (0.48) RECQLALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL8304460 0.79 MAPT (0.48) RECQLALDH1A1POLBSMN1; SMN2RAB9A
Dimethyl Phthalate SCHEMBL29669976 0.78 TSHR (0.74) ALDH1A1POLBMAPTLMNATSHR
Dimethyl Phthalate SCHEMBL790124 0.78 TSHR (0.74) ALDH1A1POLBMAPTLMNATSHR
Dimethyl Phthalate SCHEMBL29500970 0.78 TSHR (0.74) ALDH1A1POLBMAPTLMNATSHR
Dimethyl Phthalate SCHEMBL34630 0.78 TSHR (0.74) ALDH1A1POLBMAPTLMNATSHR

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 10 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
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 — — US 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
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 — — US 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 RECQL 1043/4885ALDH1A1 552/4885POLB 3086/4885

“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.

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