SCHEMBL22050313

SCHEMBL22050313

Cc1ccc(F)cc1NC(=O)N1CCOC2(CNCCOC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC2 Q92769 4/20 0.39
HDAC1 Q13547 3/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HDAC3 O15379 1/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.37
ABCC1 P33527 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL22050576 0.79 RAB9A (0.52) MAPK1MAPTNPSR1HDAC2HDAC1
SCHEMBL4819210 0.73 MAPK1 (0.55) MAPK1MAPTNPSR1HDAC2HDAC1
SCHEMBL4819221 0.73 MAPK1 (0.55) MAPK1MAPTNPSR1HDAC2HDAC1
SCHEMBL16043901 0.67 USP2 (0.47) NAMPTMAPK1USP2EPHX2SMN1; SMN2
SCHEMBL3704083 0.65 NAMPT (1.00) NAMPT
SCHEMBL9030697 0.64 MEN1 (0.69) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL23144507 0.64 NAMPT (0.32) NAMPTKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9030247 0.64 MEN1 (0.67) MAPTNPSR1RAB9AMEN1KMT2A
SCHEMBL4819216 0.63 MAPT (0.46) MAPK1MAPTNPSR1MEN1KMT2A
SCHEMBL29565909 0.63 SMN1; SMN2 (0.50) MAPK1USP2EPHX2SMN1; 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-20200171132-A1 METHODS OF INHIBITING FUNGAL CERAMIDE SYNTHASE FOR TREATMENT OF CRYPTOCOCCUS NEOFORMANS INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 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-20200171132-A1 METHODS OF INHIBITING FUNGAL CERAMIDE SYNTHASE FOR TREATMENT OF CRYPTOCOCCUS NEOFORMANS INFECTION CERS2, CERT1, SMPD1 NAMPT 140/4885MAPK1 1019/4885MAPT 3642/4885

“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.