SCHEMBL28692437

SCHEMBL28692437

COc1ccc(-n2nnc(C=O)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
PAX8 Q06710 1/20 0.44
POLB P06746 2/20 0.43
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPBWR1 P48145 3/20 0.40
MCHR1 Q99705 2/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL22831659 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTRAB9AKMT2A
SCHEMBL2238946 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTPOLBCYP2A6
SCHEMBL22831632 0.79 CA1 (0.41) SMN1; SMN2ALDH1A1MAPTNPC1HTT
SCHEMBL22683593 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTPOLBCYP2A6
SCHEMBL22683616 0.79 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTTKMT2ACYP2A6
SCHEMBL22831644 0.77 NPBWR1 (0.40) SMN1; SMN2ALDH1A1MAPTPAX8CYP2A6
SCHEMBL10772427 0.77 TOP2A (0.47) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL28697965 0.74 NOTUM (0.55) SMN1; SMN2ALDH1A1MAPTNPC1HTT
SCHEMBL22831636 0.68 HPGD (0.54) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL17596865 0.68 BACE1 (0.42) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-18 US disclosed
EP-3997083-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2022-05-18 EP disclosed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN 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-20220259212-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 SMN1; SMN2 4731/4885ALDH1A1 570/4885MAPT 3377/4885

“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.