SCHEMBL478927

SCHEMBL478927

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
XPO1 O14980 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
NOTUM Q6P988 1/20 0.36
CD38 P28907 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL478926 1.00 IDO1 (0.45) IDO1XPO1MEN1KMT2AL3MBTL1
SCHEMBL30194207 0.86 XPO1 (0.43) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL29053527 0.86 XPO1 (0.43) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL615827 0.82 XPO1 (0.42) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL615828 0.82 XPO1 (0.42) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL30480732 0.82 XPO1 (0.42) XPO1MEN1KMT2ALMNAMAPT
SCHEMBL478839 0.82 IDO1 (0.52) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL478841 0.82 IDO1 (0.52) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL29053476 0.81 KMT2A (0.44) XPO1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30194027 0.81 KMT2A (0.44) XPO1MEN1KMT2AL3MBTL1ALDH1A1

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-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

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 620/4885XPO1 988/4885MEN1 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.