SCHEMBL2913776

SCHEMBL2913776

N#Cc1ccccc1C(=O)c1ccccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PPIA P62937 1/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HSD11B1 P28845 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KAT6A Q92794 1/20 0.41
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9575558 0.90 GSTA1 (0.49) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL9575703 0.88 MAPT (0.48) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL7636142 0.88 TSHR (0.55) ALDH1A1POLBTSHR
SCHEMBL1200740 0.87 AKR1C3 (0.55) ALDH1A1POLBLMNAGAANPSR1
SCHEMBL6276445 0.86 PPIA (0.45) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL31000747 0.86 PPIA (0.45) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL28582452 0.85 FNTA (0.44) ALDH1A1PPIATSHRLMNAKDM4E
SCHEMBL31612294 0.85 LMNA (0.40) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL29365220 0.84 ALDH1A1 (0.56) ALDH1A1PPIAPOLBTSHRLMNA
SCHEMBL180853 0.84 ALDH1A1 (0.56) ALDH1A1PPIAPOLBTSHRLMNA

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
EP-2212301-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES Fresenius Kabi Oncology Limited (IN) 2010-08-04 EP disclosed
WO-2009069140-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES DABUR PHARMA LIMITED (IN) 2009-06-04 WO disclosed
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 ALDH1A1 33/4885PPIA 3011/4885POLB 3824/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 ALDH1A1 63/4885PPIA 2466/4885POLB 2621/4885

“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.