SCHEMBL20001809

SCHEMBL20001809

OC(c1cccc(C(F)(F)F)c1)c1cccc2cncn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
TDO2 P48775 5/20 0.55
PNMT P11086 1/20 0.46
CES2 O00748 1/20 0.40
ACP3 P15309 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
GRIN2B Q13224 2/20 0.39
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B2 P37059 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 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
SCHEMBL20002514 0.83 IDO1 (0.53) IDO1TDO2CES2
SCHEMBL18137634 0.82 IDO1 (0.48) IDO1TDO2SMN1; SMN2
SCHEMBL20002535 0.77 IDO1 (0.38) IDO1TDO2ALDH1A1
SCHEMBL18137636 0.77 IDO1 (0.47) IDO1TDO2
SCHEMBL20001933 0.76 TOP2A (0.37) IDO1TDO2TP53
SCHEMBL20002513 0.75 ACP3 (0.36) IDO1TDO2ACP3OPRM1OPRD1
SCHEMBL20002536 0.74 IDO1 (0.41) IDO1TDO2ALDH1A1LMNAMAPT
SCHEMBL4135956 0.73 PNMT (0.65) IDO1TDO2PNMTCES2ACP3
SCHEMBL20002516 0.72 KMO (0.42) IDO1TDO2ALDH1A1LMNASMN1; SMN2
SCHEMBL4135655 0.72 PNMT (0.59) IDO1TDO2PNMTCES2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
WO-2018057973-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-03-29 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 IDO1 1/4885TDO2 2/4885PNMT 366/4885

“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.