SCHEMBL478841

SCHEMBL478841

O=C(O)C=Cc1cc(Cl)ccc1-n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
TBXAS1 P24557 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 1/20 0.42
CD38 P28907 2/20 0.40
MAPT P10636 2/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL478839 1.00 IDO1 (0.52) IDO1TBXAS1MEN1KMT2ACYP1A2
SCHEMBL613197 0.83 MAPT (0.43) MEN1KMT2ALMNAMAPTITGB2
SCHEMBL613198 0.83 MAPT (0.43) MEN1KMT2ALMNAMAPTITGB2
SCHEMBL478927 0.82 IDO1 (0.45) IDO1MEN1KMT2ALMNACYP3A4
SCHEMBL478926 0.82 IDO1 (0.45) IDO1MEN1KMT2ALMNACYP3A4
SCHEMBL478946 0.80 IDO1 (0.56) IDO1MEN1KMT2ACYP1A2LMNA
SCHEMBL1237488 0.79 TBXAS1 (0.52) IDO1TBXAS1MEN1KMT2ACYP1A2
SCHEMBL1237490 0.79 TBXAS1 (0.52) IDO1TBXAS1MEN1KMT2ACYP1A2
SCHEMBL1196380 0.78 MAPT (0.43) MEN1KMT2ALMNAMAPTITGB2
SCHEMBL1196382 0.78 MAPT (0.43) MEN1KMT2ALMNAMAPTITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 IDO1 620/4885TBXAS1 120/4885MEN1 529/4885

“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.