SCHEMBL21677294

SCHEMBL21677294

Cc1ccccc1-c1cc2ccc(NC(=O)c3ccn[nH]3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ ALOX15 P16050 5/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ITK Q08881 9/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ NSD2 O96028 1/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL21677358 0.83 GRM4 (0.52) NPC1RAB9ASMN1; SMN2ITK
SCHEMBL21629670 0.79 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CDK2ITK
SCHEMBL21677355 0.77 ITK (0.59) NPC1RAB9AALOX15SMN1; SMN2L3MBTL1
SCHEMBL21677248 0.77 ITK (0.42) NPC1RAB9AITKMEN1KMT2A
SCHEMBL20482953 0.77 GRM1 (0.49) NPC1RAB9ASMN1; SMN2ITKMEN1
SCHEMBL21629657 0.76 ITK (0.41) NPC1RAB9ACDK2L3MBTL1ITK
SCHEMBL24071106 0.75 ALOX15 (0.48) NPC1RAB9AALOX15SMN1; SMN2CDK2
SCHEMBL20482663 0.73 ITK (0.42) NPC1RAB9AALOX15L3MBTL1ITK
SCHEMBL21657925 0.71 CASP3 (0.51) RAB9AALOX15SMN1; SMN2ITKMEN1
SCHEMBL21657836 0.69 CASP3 (0.67) NPC1RAB9AALOX15ITKMEN1

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 NPC1 991/4885RAB9A 4101/4885ALOX15 339/4885

“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.

Send feedback