SCHEMBL21677358

SCHEMBL21677358

Cc1ccccc1-c1cc2ccc(NC(=O)c3ccccn3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 14/20 0.52
▸ KDR P35968 2/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.46
▸ ITK Q08881 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
SCHEMBL21629662 0.84 GRM4 (0.57) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL14183004 0.84 GRM4 (0.53) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL21677294 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ITK
SCHEMBL21629670 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ITK
SCHEMBL21629657 0.80 ITK (0.41) KDRNPC1RAB9AITK
SCHEMBL21677355 0.79 ITK (0.59) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL21677248 0.79 ITK (0.42) KDRNPC1RAB9AITK
SCHEMBL20482953 0.78 GRM1 (0.49) NPC1RAB9ASMN1; SMN2HDAC6ITK
SCHEMBL14182794 0.77 KDR (0.46) GRM4KDRNPC1RAB9ASMN1; SMN2
SCHEMBL8297618 0.76 NPC1 (0.59) GRM4KDRNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2020-01-30 — — 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-20200031805-A1 ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS AHR, ARNT, AIPL1 GRM4 1436/4885KDR 1139/4885NPC1 991/4885

“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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