SCHEMBL30163441

SCHEMBL30163441

CCOC(=O)Cc1ccnc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TBXAS1 P24557 1/20 0.42
HSD17B10 Q99714 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
SYK P43405 1/20 0.39
DRD2 P14416 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL2789335 1.00 CYP19A1 (0.43) CYP19A1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL21476229 0.85 CYP4F2 (0.53) HSD17B10CYP4Z1SYKLMNAMAPT
SCHEMBL12303297 0.84 SYK (0.50) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL16797558 0.84 ALDH1A1 (0.47) CYP19A1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL29919922 0.84 ALDH1A1 (0.47) CYP19A1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL4420980 0.84 SMN1; SMN2 (0.45) CYP19A1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL16108961 0.83 LOX (0.53) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL30088474 0.83 LOX (0.53) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL13653554 0.83 CDC7 (0.49) CYP19A1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL191331 0.81 RECQL (0.50) CYP19A1SMN1; SMN2NPC1PKMNFKB1

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
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
US-20230061841-A1 SHMT INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 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-20230061841-A1 SHMT INHIBITORS AND USES THEREOF SHMT1, SHMT2, BHMT CYP19A1 1469/4885SMN1; SMN2 4027/4885NPC1 2512/4885

“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.