SCHEMBL5900071

SCHEMBL5900071

COc1ccc(-c2cc(C(=O)NCCc3ccccc3)ccc2Cn2cc(Cc3ccccc3)c3cc(C(=N)N)ccc32)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PLA2G2A P14555 2/20 0.46
TP53 P04637 3/20 0.44
F2 P00734 3/20 0.44
F10 P00742 2/20 0.44
PLG P00747 2/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 2/20 0.41

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
SCHEMBL4657664 0.94 PLA2G2A (0.47) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL5899946 0.93 PLA2G2A (0.47) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL4657990 0.92 PLA2G2A (0.49) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL5899836 0.91 F7 (0.56) PLA2G2AF2F10PLGF7
SCHEMBL5899891 0.90 PLA2G2A (0.52) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL4656156 0.90 PLA2G2A (0.51) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL4656237 0.90 F2 (0.45) MTNR1AMTNR1BPLA2G2AF2F10
SCHEMBL4658856 0.88 PLA2G2A (0.43) MTNR1AMTNR1BPLA2G2AF2F10
SCHEMBL4627926 0.87 PLA2G2A (0.54) MTNR1AMTNR1BPLA2G2ATP53F2
SCHEMBL4658570 0.87 PLA2G2A (0.49) MTNR1AMTNR1BPLA2G2ATP53F2

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
US-7129264-B2 Biarylmethyl indolines and indoles as antithromboembolic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-31 US claimed
US-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 US claimed

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-20040220206-A1 Biarylmethyl indolines, indoles and tetrahydroquinolines, useful as serine protease inhibitors TFPI, TFPI2, F2 MTNR1A 1083/4885MTNR1B 888/4885PLA2G2A 1334/4885

“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.