SCHEMBL5092579

SCHEMBL5092579

O=C(CCCc1ccncc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.77
NPC1 O15118 1/20 0.77
CASP3 P42574 1/20 0.77
RAB9A P51151 1/20 0.77
SENP8 Q96LD8 1/20 0.77
SENP7 Q9BQF6 1/20 0.77
SENP6 Q9GZR1 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 2/20 0.58
PLOD2 O00469 1/20 0.58
PLOD3 O60568 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL4603533 0.89 CYP1A2 (0.61) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL839278 0.87 TDP1 (1.00) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL11304333 0.82 TDP1 (0.62) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL3070677 0.82 TDP1 (0.89) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL9195700 0.81 ALDH1A1 (0.77) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL9774493 0.81 NPC1 (0.79) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL10269837 0.81 TDP1 (0.79) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL8559822 0.80 TDP1 (0.85) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL9242650 0.80 TDP1 (0.85) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL7426101 0.80 TDP1 (0.85) TDP1NPC1CASP3RAB9ASENP8

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-7427632-B2 Factor Xa inhibitors ELI LILLY AND COMPANY (US) 2008-09-23 US disclosed
US-20060052606-A1 Factor xa Inhibitors ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1581493-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004060872-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-07-22 WO 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-20060052606-A1 Factor xa Inhibitors F12, F11, SERPINC1 TDP1 1296/4885NPC1 2053/4885CASP3 849/4885

“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.