SCHEMBL21138716

SCHEMBL21138716

COC(=O)C(=O)Nc1ncc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.42
DHODH Q02127 1/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 4/20 0.37
PABPC1 P11940 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
POLB P06746 3/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ESR2 Q92731 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 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
SCHEMBL12515442 0.81 PTK2 (0.49) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30127342 0.81 PTK2 (0.49) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7604051 0.77 S1PR1 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1503915 0.74 GPR35 (0.41) GPR35MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1503921 0.72 KMT2A (0.55) GPR35MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27860933 0.71 L3MBTL1 (0.38) DHODHMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31255330 0.71 ALDH1A1 (0.44) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL12350328 0.71 ALDH1A1 (0.44) MAPTKMT2AHTTL3MBTL1MEN1
SCHEMBL21847399 0.71 APP (0.39) DHODHKMT2AHTTPIK3CAMEN1
SCHEMBL30481206 0.70 PTK2 (0.65) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT GPR35 1065/4885DHODH 200/4885MAPT 2184/4885

“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.