SCHEMBL22200847

SCHEMBL22200847

Clc1ncccc1/C=c1/c2ccccc2c2cncn12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
NFE2L2 Q16236 5/20 0.34
GABRA5 P31644 6/20 0.34
GABRA1 P14867 3/20 0.34
LCK P06239 2/20 0.33
SRC P12931 2/20 0.33
BRD9 Q9H8M2 1/20 0.32
TDO2 P48775 1/20 0.31

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
SCHEMBL20621275 1.00 IDO1 (0.42) IDO1NFE2L2GABRA5GABRA1LCK
SCHEMBL22189146 0.81 IDO1 (0.40) IDO1GABRA5GABRA1LCKSRC
SCHEMBL20621027 0.81 IDO1 (0.40) IDO1GABRA5GABRA1LCKSRC
SCHEMBL20620953 0.81 IDO1 (0.40) IDO1GABRA5GABRA1LCKSRC
SCHEMBL19749271 0.70 IDO1 (0.55) IDO1GABRA5GABRA1LCKSRC
SCHEMBL13469847 0.67 IDO1 (0.51) IDO1GABRA5GABRA1LCKBRD9
SCHEMBL22567191 0.66 GABRA5 (0.43) IDO1GABRA5GABRA1LCKTDO2
SCHEMBL3356849 0.64 GABRA5 (0.50) IDO1GABRA5GABRA1LCKTDO2
SCHEMBL28650020 0.63 IDO1 (0.49) IDO1GABRA5LCKTDO2
SCHEMBL28648691 0.63 IDO1 (0.41) IDO1GABRA5LCKSRCBRD9

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-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 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 (2 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-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 IDO1 1/4885NFE2L2 384/4885GABRA5 2963/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 IDO1 1/4885NFE2L2 562/4885GABRA5 2939/4885

“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.