SCHEMBL9899253

SCHEMBL9899253

CCOC(=O)c1cc([N+](=O)[O-])c(NC)cc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR174 Q9BXC1 3/20 0.43
MAPT P10636 8/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9898192 0.90 MAPT (0.43) ALDH1A1LMNAHPGDMAPTHTT
SCHEMBL9944759 0.88 GPR174 (0.52) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9897728 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHPGDNPSR1MAPT
SCHEMBL9944868 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9944864 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9898442 0.82 PTGES (0.45) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL9899158 0.81 OPRK1 (0.44) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9944859 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9944876 0.79 GPR174 (0.52) ALDH1A1SMN1; SMN2POLBLMNAGALR2
SCHEMBL9944921 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBLMNAGALR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
EP-2649051-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012077782-A1 DOOR OPENING/CLOSING CONTROL SYSTEM AND DOOR OPENING/CLOSING CONTROL DEVICE パナソニック株式会社 (JP) 2012-06-14 WO disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALDH1A1 126/4885SMN1; SMN2 4246/4885POLB 2315/4885

“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.