SCHEMBL4656320

SCHEMBL4656320

N#CC(C#N)=Cc1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.61
▸ KMT2A Q03164 10/20 0.61
▸ MAPT P10636 10/20 0.61
▸ MEN1 O00255 9/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ LMNA P02545 6/20 0.61
▸ NPSR1 Q6W5P4 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ EGFR P00533 8/20 0.58
▸ CYP3A4 P08684 5/20 0.58
▸ HPGD P15428 5/20 0.58
▸ BLM P54132 5/20 0.58
▸ NFKB1 P19838 4/20 0.58
▸ PMP22 Q01453 4/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ TSHR P16473 3/20 0.58
▸ ALOX15 P16050 3/20 0.58

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
SCHEMBL8539278 0.83 MAPT (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL15065094 0.83 MAPT (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL8539257 0.83 KMT2A (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL26552253 0.81 TRPA1 (0.47) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL15286935 0.80 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL17466932 0.78 MAPT (1.00) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL12617223 0.78 EGFR (0.70) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL3368837 0.77 ALDH1A1 (0.77) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11313166 0.77 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL20603132 0.77 EGFR (0.64) ALDH1A1KDM4ELMNAEGFRCYP3A4

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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 — — EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 — — US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 — — US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 — — US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 — — 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 (3 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 ALDH1A1 411/4885KMT2A 677/4885MAPT 4525/4885
US-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 ALDH1A1 1502/4885KMT2A 3658/4885MAPT 4314/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 ALDH1A1 614/4885KMT2A 2762/4885MAPT 4612/4885

“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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