SCHEMBL12236272

SCHEMBL12236272

Cc1cc(C#N)cc(C)c1Oc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 16/20 0.60
▸ VCAM1 P19320 2/20 0.43
▸ MAPT P10636 1/20 0.39
▸ MERTK Q12866 1/20 0.37

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
SCHEMBL3813480 0.81 KCNH2 (0.44) PIN1
SCHEMBL1183253 0.79 CYP2C9 (0.58) PIN1MAPTMERTK
SCHEMBL2260535 0.79 ALDH1A1 (0.43) PIN1MAPT
SCHEMBL2259469 0.79 KCNH2 (0.45) PIN1
SCHEMBL3813659 0.76 AR (0.39) PIN1
SCHEMBL38657451 0.74 KCNH2 (0.46) MAPT
SCHEMBL2264786 0.73 CYP2C9 (0.40) PIN1
SCHEMBL1028954 0.72 PIN1 (0.69) PIN1MAPTMERTK
SCHEMBL12367100 0.71 KCNH2 (0.39) PIN1MAPT
SCHEMBL12367097 0.71 ABCC3 (0.38) PIN1MAPT

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
US-8530655-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 — — US disclosed
US-20110263625-A1 HIV REPLICATION INHIBITING PYRIMIDINES CORTE BART DE 2011-10-27 — — US disclosed
US-8003789-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA, N.V. (BE) 2011-08-23 — — US disclosed
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 — — US disclosed
US-7763631-B2 Prodrugs of HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2010-07-27 — — US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 — — US disclosed
US-20080176880-A1 Activity against strains having acquired resistance nonnucleoside reverse transcriptase inhibitors; human alpha1 acid glycoprotein nonbinding; such as 4-[[(5-bromo-4,6-dichloro)-2-pyrimidinyl]amino]-benzonitrile JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-24 — — US disclosed
US-20070196478-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2007-08-23 — — US disclosed
US-7241458-B1 Antiviral compositions JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 — — 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 (4 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-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 PIN1 878/4885VCAM1 3200/4885MAPT 879/4885
US-20080176880-A1 Activity against strains having acquired resistance nonnucleoside reverse transcriptase inhibitors; human alpha1 acid glycoprotein nonbinding; such as 4-[[(5-bromo-4,6-dichloro)-2-pyrimidinyl]amino]-benzonitrile ABCC1, MGAT1, RRM2 PIN1 3646/4885VCAM1 781/4885MAPT 4585/4885
US-20110263625-A1 HIV REPLICATION INHIBITING PYRIMIDINES NSUN2, CCNO, POLR2H PIN1 2174/4885VCAM1 3755/4885MAPT 4408/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 PIN1 878/4885VCAM1 3200/4885MAPT 879/4885

“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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