SCHEMBL5434205

SCHEMBL5434205

NC(=O)C1CCCC1NC(=O)c1ccc(N2CCCC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 3/20 0.63
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
MAPK1 P28482 1/20 0.63
F10 P00742 5/20 0.59
F2 P00734 1/20 0.59
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.48
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4694872 0.98 RAB9A (0.67) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4693954 0.97 F10 (0.63) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4687850 0.95 F10 (0.62) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4693401 0.94 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4692038 0.93 RAB9A (0.64) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5434208 0.86 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4690332 0.84 F10 (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4690397 0.84 F10 (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL4690484 0.84 F10 (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL5430092 0.84 F10 (0.57) NPC1RAB9ASMN1; SMN2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD NPC1 4319/4885RAB9A 3566/4885SMN1; SMN2 2952/4885

“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.