SCHEMBL4598628

SCHEMBL4598628

O=C(Oc1cccc(Br)c1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.68
HSD17B10 Q99714 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.62
TSHR P16473 2/20 0.62
KMT2A Q03164 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 2/20 0.62
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAOB P27338 1/20 0.56
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55

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
SCHEMBL830030 0.84 SMN1; SMN2 (0.78) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599459 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599565 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL28372646 0.82 EPHX1 (0.68) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL30520172 0.81 CYP1A2 (0.71) SMN1; SMN2TSHRKMT2ANPSR1RAB9A
SCHEMBL4197062 0.81 EPHX1 (1.00) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL5101418 0.81 KMT2A (0.82) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599457 0.78 HSD17B10 (0.66) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL4599121 0.78 ALDH1A1 (0.65) EPHX1HSD17B10SMN1; SMN2TSHRKMT2A
SCHEMBL28001881 0.78 MGLL (0.53) EPHX1SMN1; SMN2RAB9AGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
CN-114599652-A Hydropyrazino [1,2-d ] [1,4] diazepin compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-06-07 CN disclosed
CN-113710672-A hexahydro-1H-pyrazino [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-11-26 CN disclosed
CN-112752755-A Heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-05-04 CN disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R EPHX1 967/4885HSD17B10 1311/4885SMN1; SMN2 1965/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R EPHX1 967/4885HSD17B10 1311/4885SMN1; SMN2 1965/4885

“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.