SCHEMBL22831702

SCHEMBL22831702

O=Cc1cnn(-c2ccc(NC(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HPGDS O60760 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 0.39
KDR P35968 2/20 0.39
NAMPT P43490 2/20 0.39
ITGB1 P05556 1/20 0.38
ITGA2 P17301 1/20 0.38
XDH P47989 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL22831669 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL28448410 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL22831634 0.83 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL18586388 0.78 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL21281739 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2AHDAC1
SCHEMBL70114 0.77 NPC1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL20168327 0.77 ALKBH2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC2
SCHEMBL22831640 0.77 MEN1 (0.44) SMN1; SMN2NPC1RAB9AKMT2AMEN1
Water SCHEMBL17731583 0.76 NPC1 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1990298 0.74 MTOR (0.52) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 SMN1; SMN2 4688/4885NPC1 3659/4885RAB9A 4667/4885

“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.