SCHEMBL16658709

SCHEMBL16658709

CC(=O)NC/C=C/C=C/CCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HPGD P15428 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.43
EPHX2 P34913 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL16658707 0.96 TRPV1 (0.45) MTNR1AMTNR1BHPGDCYP2C9CYP2C19
SCHEMBL16658729 0.94 TRPV1 (0.47) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL16658716 0.94 TRPV1 (0.47) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL16658711 0.91 GPR52 (0.47) MTNR1AMTNR1BHPGDALDH1A1SMN1; SMN2
SCHEMBL16658703 0.88 EPHX2 (0.50) MTNR1AMTNR1BHPGDCYP2C9CYP2C19
SCHEMBL16658713 0.87 EPHX2 (0.52) MTNR1AMTNR1BEPHX2TRPV1
SCHEMBL16658723 0.87 EPHX2 (0.52) MTNR1AMTNR1BEPHX2TRPV1
SCHEMBL16658705 0.87 EPHX2 (0.52) MTNR1AMTNR1BEPHX2TRPV1
SCHEMBL16658712 0.87 EPHX2 (0.52) MTNR1AMTNR1BEPHX2TRPV1
SCHEMBL15534342 0.78 GPR52 (0.50)

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-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-9199948-B2 1,3-benzoxazol-2(3H)-ones and their use as medicaments and cosmetics DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-12-01 US disclosed
US-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-04-23 US disclosed
US-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-04-23 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-20150111935-A1 NOVEL 1,3-BENZOXAZOL-2(3H)-ONES AND THEIR USE AS MEDICAMENTS AND COSMETICS TRPV1, TRPA1, P2RX3 MTNR1A 339/4885MTNR1B 530/4885HPGD 607/4885

“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.