SCHEMBL2643529

SCHEMBL2643529

N#CCCC1c2c(F)cccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MDM2 Q00987 4/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
P2RX4 Q99571 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
SCHEMBL2643454 0.85 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL2644120 0.82 RORC (0.36) ALDH1A1
SCHEMBL2643619 0.78 ALDH1A1 (0.42) CYP2C19CYP2C9ALDH1A1CA12CA1
SCHEMBL2643582 0.72 MAPT (0.40) CYP2C19CYP2C9ALDH1A1CA12CA1
SCHEMBL2664915 0.70 CASP3 (0.39) CYP2C19CYP2C9ALDH1A1CA12CA1
SCHEMBL2664954 0.70 CASP3 (0.39) CYP2C19CYP2C9ALDH1A1CA12CA1
SCHEMBL2644689 0.70 MAPT (0.43) CYP2C19CYP2C9ALDH1A1KMT2APOLB
SCHEMBL2644254 0.68 MEN1 (0.50) CYP2C19CYP2C9ALDH1A1MDM2KMT2A
SCHEMBL31667491 0.67 CYP2C9 (0.65) CYP2C19CYP2C9ALDH1A1CA12CA1
SCHEMBL2644952 0.67 MAPT (0.36) MDM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
CN-101316836-A Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA NV (BE) 2008-12-03 CN disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 CYP2C19 1213/4885CYP2C9 1845/4885ALDH1A1 1552/4885

“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.