SCHEMBL2264359

SCHEMBL2264359

O=Cc1ccc(-n2cc3cc(F)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KCNJ1 P48048 1/20 0.41
MAPK1 P28482 1/20 0.40
GCG P01275 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGS2 P35354 2/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL2264062 0.82 ESR2 (0.43) ESR2POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL28539532 0.80 ESR2 (0.46) ESR2KDM4EGCGPTGS2NPC1
SCHEMBL11901390 0.80 ESR2 (0.62) ESR2KDM4ESMN1; SMN2GCGMEN1
SCHEMBL28967464 0.80 MEN1 (0.49) ESR2POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL28553007 0.80 ESR2 (0.66) ESR2POLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL19763369 0.79 SMN1; SMN2 (0.49) ESR2POLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL13791755 0.79 ESR2 (0.40) ESR2KDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL2264172 0.78 ALDH1A1 (0.47) ESR2KDM4EALDH1A1SMN1; SMN2KCNJ1
SCHEMBL2264673 0.77 CA1 (0.51) PTGS2
SCHEMBL28539726 0.77 NPC1 (0.52) ESR2KDM4EALDH1A1GCGMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 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 (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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 ESR2 2156/4885POLB 28/4885KDM4E 3023/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 ESR2 2156/4885POLB 28/4885KDM4E 3023/4885

“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.