SCHEMBL239037

SCHEMBL239037

CN(c1ccc(Cl)cc1)c1ccc(C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.42
ADK P55263 4/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.37
EGFR P00533 2/20 0.35
CSF1R P07333 2/20 0.35
GAA P10253 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RXRA P19793 1/20 0.34
CCR6 P51684 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL27295964 0.84 ALDH1A1 (0.37) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL31473441 0.84 ALDH1A1 (0.37) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL27303097 0.80 ALDH1A1 (0.40) SIRT2KDM4EALDH1A1L3MBTL1ABCG2
SCHEMBL30018321 0.78 GBA1 (0.44) ADKMAOAMAOBKDM4EALDH1A1
SCHEMBL11560142 0.77 KDM4C (0.42) KDM4EALDH1A1EGFRCSF1RRXRA
SCHEMBL165008 0.76 ALDH1A1 (0.46) ADKKDM4EALDH1A1L3MBTL1GRM5
SCHEMBL27308720 0.74 IKBKB (0.33) KDM4EALDH1A1L3MBTL1ABCG2
SCHEMBL11560312 0.71 HCAR3 (0.52) ALDH1A1RXRATSHR
SCHEMBL19418041 0.70 KDM4E (0.42) KDM4EALDH1A1L3MBTL1HTT
SCHEMBL2815513 0.70 ALDH1A1 (0.41) SIRT2KDM4EALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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 (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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R SIRT2 3445/4885ADK 3200/4885TMPRSS4 346/4885

“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.