SCHEMBL23815768

SCHEMBL23815768

CCC(C)(C)c1ccno1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20119350 0.83 CYP1A2 (0.34) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL22652562 0.83 CYP1A2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL23383369 0.81 NPC1 (0.30) NPC1RAB9AL3MBTL1
SCHEMBL18687138 0.80 CYP1A2 (0.39) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL22023787 0.77 CNR2 (0.40) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL15979333 0.76 CYP1A2 (0.33) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL29899196 0.73
SCHEMBL24850747 0.73
SCHEMBL19388345 0.71 CYP1A2 (0.36) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL19286647 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283129-A1 METHODS OF TREATING ERYTHROPOIETIC PROTOPORPHYRIA, X-LINKED PROTOPORPHYRIA, OR CONGENITAL ERYTHROPOIETIC PORPHYRIA WITH GLYCINE TRANSPORT INHIBITORS DISC MEDICINE, INC. 2021-09-16 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-20210283129-A1 METHODS OF TREATING ERYTHROPOIETIC PROTOPORPHYRIA, X-LINKED PROTOPORPHYRIA, OR CONGENITAL ERYTHROPOIETIC PORPHYRIA WITH GLYCINE TRANSPORT INHIBITORS GFPT1, MPST, XPNPEP1 CYP1A2 1036/4885CYP19A1 1966/4885CYP2C9 917/4885

“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.