SCHEMBL1711028

SCHEMBL1711028

O=C(C=Cc1ccccc1F)ON1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFE2L2 Q16236 2/20 0.43
RECQL P46063 2/20 0.43
MAPT P10636 2/20 0.43
GPR183 P32249 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KEAP1 Q14145 1/20 0.41
C3AR1 Q16581 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
CYP1A1 P04798 1/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40

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
SCHEMBL1711027 1.00 MAOB (0.46) MAOBCYP1A2CYP1B1CYP2D6ATM
SCHEMBL1711334 0.79 MAOB (0.46) MAOBCYP1A2CYP1B1CYP2D6NFE2L2
SCHEMBL1711332 0.79 MAOB (0.46) MAOBCYP1A2CYP1B1CYP2D6NFE2L2
SCHEMBL20544339 0.77 HSP90AA1 (0.52) CYP1A2CYP2D6RECQLMAPTHPGD
SCHEMBL20544340 0.77 HSP90AA1 (0.52) CYP1A2CYP2D6RECQLMAPTHPGD
SCHEMBL149579 0.74 MAOB (0.59) MAOBCYP1A2CYP1B1CYP2D6NFE2L2
SCHEMBL149581 0.74 MAOB (0.59) MAOBCYP1A2CYP1B1CYP2D6NFE2L2
SCHEMBL29900779 0.74 MAOB (0.59) MAOBCYP1A2CYP1B1CYP2D6NFE2L2
SCHEMBL7240982 0.72 NFE2L2 (0.58) MAOBNFE2L2HPGDALDH1A1RAB9A
SCHEMBL3581314 0.71 NFE2L2 (0.62) MAOBCYP1A2CYP1B1CYP2D6NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US disclosed
CN-102216260-B Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO 2015-07-15 CN disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 MAOB 3354/4885CYP1A2 3676/4885CYP1B1 4397/4885

“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.