SCHEMBL862261

SCHEMBL862261

Cc1cc2nc(C)n(C)c2cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
GLA P06280 1/20 0.60
HPGD P15428 1/20 0.60
CYP1A2 P05177 2/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.43
DCTPP1 Q9H773 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL13916685 0.91 KDM4E (0.67) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL13916682 0.88 KDM4E (0.69) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL17561693 0.84 KDM4E (0.55) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL25818717 0.84 KDM4E (0.55) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL25818716 0.84 KDM4E (0.55) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL17561697 0.84 KDM4E (0.55) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL10151106 0.81 KDM4E (0.51) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL16103838 0.81 LMNA (0.51) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL3967634 0.78 KDM4E (0.56) KDM4EALDH1A1LMNASMN1; SMN2GLA
SCHEMBL15233270 0.78 KDM4E (0.58) KDM4EALDH1A1LMNASMN1; SMN2GLA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 US disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-20160372675-A1 MACROMOLECULAR COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-22 US disclosed
US-9472763-B2 Macromolecular compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-18 US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 US disclosed
US-20160152639-A1 POLYMERIC COMPOUND AND ELECTRONIC ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-02 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20120217448-A1 MACROMOLECULAR COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120205596-A1 MACROMOLECULAR COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20120205641-A1 PHOTOVOLTAIC CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20120205644-A1 PHOTOVOLTAIC CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-20120205593-A1 POLYMERIC COMPOUND AND ELECTRONIC ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 US disclosed
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed
US-20070040164-A1 Polymer complex compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-22 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 (7 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-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885ALDH1A1 604/4885LMNA 2613/4885
US-20160372675-A1 MACROMOLECULAR COMPOUND EXOSC4, TRPC6, MRPS22 KDM4E 2826/4885ALDH1A1 3653/4885LMNA 3835/4885
US-20120205593-A1 POLYMERIC COMPOUND AND ELECTRONIC ELEMENT ARPC2, AXIN2, EMC2 KDM4E 1757/4885ALDH1A1 1268/4885LMNA 3141/4885
US-20120205596-A1 MACROMOLECULAR COMPOUND EXOSC4, TRPC6, MRPS22 KDM4E 2826/4885ALDH1A1 3653/4885LMNA 3835/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885ALDH1A1 604/4885LMNA 2613/4885
US-20160152639-A1 POLYMERIC COMPOUND AND ELECTRONIC ELEMENT ARPC2, AXIN2, EMC2 KDM4E 1742/4885ALDH1A1 1314/4885LMNA 3111/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R KDM4E 2320/4885ALDH1A1 604/4885LMNA 2613/4885

“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.