SCHEMBL3917375

SCHEMBL3917375

O=Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.68
TRIM33 Q9UPN9 1/20 0.68
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
LMNA P02545 4/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
GFER P55789 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.53
TP53 P04637 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL2561698 0.89 TRIM24 (0.83) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3077544 0.89 TRIM24 (0.83) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10373626 0.82 MAPT (0.77) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL1443539 0.82 TRIM24 (0.70) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7180854 0.81 TRIM24 (0.91) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL253732 0.81 TRIM24 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5692418 0.80 TRIM24 (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL208547 0.80 ALDH1A1 (1.00) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20639904 0.80 TRIM24 (0.68) TRIM24TRIM33ALDH1A1KDM4ESMN1; SMN2
SCHEMBL10306547 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US disclosed
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP disclosed
EP-1435947-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER Ortho-McNeil Pharmaceutical, Inc. (US) 2004-07-14 EP disclosed
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHOMCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2003032984-A1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-[4,5]-PYRIDINES AS CDSI/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-04-24 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 TRIM24 745/4885TRIM33 1413/4885ALDH1A1 1427/4885
US-20030176438-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, TMBIM6, CDS2 TRIM24 919/4885TRIM33 2172/4885ALDH1A1 1805/4885

“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.