SCHEMBL478889

SCHEMBL478889

CC(C)(C)OC(=O)N1CCCC(CC(NC(=O)OCc2ccccc2)c2cc(-c3ccc([N+](=O)[O-])cc3)c(=O)[nH]n2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
BTK Q06187 1/20 0.39
ACKR3 P25106 1/20 0.37
PRMT5 O14744 3/20 0.37
HTR6 P50406 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KAT7 O95251 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
BACE1 P56817 1/20 0.35
CTSL P07711 1/20 0.35
YAP1 P46937 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
BCHE P06276 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
SCHEMBL478888 1.00 PARP1 (0.40) PARP1BTKACKR3PRMT5HTR6
SCHEMBL478527 0.91 BTK (0.43) PARP1BTKACKR3PRMT5HTR6
SCHEMBL478524 0.91 BTK (0.43) PARP1BTKACKR3PRMT5HTR6
SCHEMBL478434 0.89 F11 (0.42) PARP1BTKACKR3PRMT5HTR6
SCHEMBL478437 0.89 F11 (0.42) PARP1BTKACKR3PRMT5HTR6
SCHEMBL479026 0.78 F11 (0.43) PARP1PRMT5L3MBTL1BACE1YAP1
SCHEMBL479027 0.78 F11 (0.43) PARP1PRMT5L3MBTL1BACE1YAP1
SCHEMBL479148 0.77 F11 (0.44) ITGA4
SCHEMBL479149 0.77 F11 (0.44) ITGA4
SCHEMBL3434288 0.73 ALDH1A1 (0.42)

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 PARP1 1091/4885BTK 768/4885ACKR3 1489/4885

“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.