SCHEMBL18415047

SCHEMBL18415047

CCc1cccc(-c2ncc(C)s2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CTSA P10619 6/20 0.37
▸ MGAM O43451 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SI P14410 1/20 0.37
▸ MGAM2 Q2M2H8 1/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL17194921 0.82 CTSA (0.44) NPC1RAB9ACTSAMGAMGAA
SCHEMBL21091009 0.82 HCRTR1 (0.37) KMT2AGABRA1HCRTR1HCRTR2ALDH1A1
SCHEMBL20073715 0.79 GAA (0.44) KMT2ANPC1RAB9ACTSAMGAM
SCHEMBL15698667 0.77 TYK2 (0.42) CTSA
SCHEMBL18415046 0.77 MGAM (0.37) NPC1RAB9ACTSAMGAMGAA
SCHEMBL21784452 0.77 MGAM (0.37) CTSAMGAMGAASIMGAM2
SCHEMBL17198694 0.75 MAPT (0.46) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL18415038 0.75 TUBB4A (0.40) CTSAGAAKDM4EALDH1A1HPGD
SCHEMBL24498568 0.72 TYK2 (0.41) ALDH1A1HSD17B10
SCHEMBL20230847 0.72 KDM4E (0.38) KMT2ARAB9AMGAMGAASI

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-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 — — 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-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 KMT2A 1342/4885NPC1 4861/4885RAB9A 2002/4885

“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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