SCHEMBL5638391

SCHEMBL5638391

O=C(NCC1CC(=O)N(c2ccc(-n3ccccc3=O)cc2)C1)c1ccc(-c2cccs2)s1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL5642032 0.89 F10 (0.55) F10
SCHEMBL5639845 0.88 ACKR3 (0.49) F10HDAC1
SCHEMBL5641296 0.88 TP53 (0.50) F10LMNATP53
SCHEMBL5638156 0.85 HDAC3 (0.44) F10HDAC1CHRNA7
SCHEMBL5637629 0.84 F10 (0.54) F10
SCHEMBL5640924 0.84 F10 (0.61) F10
SCHEMBL5638949 0.82 F10 (0.45) F10HDAC1HTR3EHTR3BCHRNA7
SCHEMBL5641487 0.80 HDAC1 (0.38) F10HDAC1HTR3EHTR3BCHRNA7
SCHEMBL4587434 0.79 CTSL (0.46) F10
SCHEMBL5641361 0.79 F10 (0.39) F10HDAC1HTR3EHTR3BCHRNA7

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-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885HDAC1 108/4885HTR3E 2437/4885

“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.

Send feedback