SCHEMBL5959210

SCHEMBL5959210

Cc1ccc(C(=O)c2cc(C#N)cc3ccc4cccn4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5257355 0.90 SLC22A12 (0.38) CYP2C9CYP11B1CYP11B2
SCHEMBL5310994 0.90 F2 (0.39) AKR1C3CYP2C9ALDH1A1CYP11B1CYP11B2
SCHEMBL5959281 0.89 KMT2A (0.40) AKR1C3MAPTALDH1A1LMNAMAPK1
SCHEMBL5308588 0.89 MAPK14 (0.35) MEN1KMT2ACYP11B1CYP11B2NPC1
SCHEMBL5313506 0.89 MAPK14 (0.42) MAPTALDH1A1LMNAMAPK1MEN1
SCHEMBL5959255 0.89 MAPT (0.41) MAPTL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL5959228 0.88 NPC1 (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5959229 0.88 PLAU (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5256708 0.88 ALDH1A1 (0.39) MAPTL3MBTL1CYP1A2CYP2C19ALDH1A1
SCHEMBL5313967 0.87 MAPK1 (0.35) MAPK1CYP11B1CYP11B2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US claimed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — US claimed
US-7135480-B2 Anticarcinogenic agents; colon, lymphoma, lung, prostate and breast cancers CYTOVIA, INC. (US) 2006-11-14 — — US disclosed
US-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2005-01-20 — — 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-20050014759-A1 Substituted 1-benzoyl-3-cyano-pyrrolo [1,2-a] quinolines and analogs as activators of caspases and inducers of apoptosis CASP3, CASP7, CASP1 AKR1C3 897/4885MAPT 4872/4885L3MBTL1 47/4885

“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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