SCHEMBL16809191

SCHEMBL16809191

CSc1ccc2nc(C)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 3/20 0.50
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
KDM4E B2RXH2 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 4/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 6/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL8502483 0.85 MAPT (0.45) ALDH1A1HSP90AA1ESR2TDP1MAPT
SCHEMBL8081175 0.80 ALDH1A1 (0.44) ALDH1A1HSP90AA1MAPTGAAHSD17B10
SCHEMBL11546307 0.80 TYMS (0.60) ALDH1A1TDP1MAPTGAAHSD17B10
SCHEMBL8502461 0.80 HPGD (0.51) ALDH1A1HSP90AA1TDP1MAPTGAA
SCHEMBL24012942 0.80 MEN1 (0.56) ALDH1A1HSP90AA1ESR2TDP1MAPT
SCHEMBL30572484 0.79 RAB9A (0.47) ALDH1A1HSP90AA1ESR2TDP1MAPT
SCHEMBL27413637 0.78 TYMS (0.53) ALDH1A1HSP90AA1ESR2TDP1MAPT
SCHEMBL23867565 0.78 CYP1A2 (0.57) ALDH1A1HSP90AA1ESR2TDP1MAPT
SCHEMBL18932089 0.77 ALDH1A1 (0.55) ALDH1A1MAPTGAAHSD17B10KDM4E
SCHEMBL266609 0.76 ALDH1A1 (0.66) ALDH1A1HSP90AA1ESR2TDP1MAPT

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 5 patents. 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-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 US disclosed
US-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-06-18 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-20150166527-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 519/4885HSP90AA1 2390/4885ESR2 1125/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885HSP90AA1 2469/4885ESR2 921/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885HSP90AA1 2469/4885ESR2 921/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R ALDH1A1 604/4885HSP90AA1 2469/4885ESR2 921/4885

“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.