SCHEMBL479195

SCHEMBL479195

COC(=O)Nc1ccc(C(=O)C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL478780 0.88 HDAC1 (0.48) HDAC1HDAC6HPGDRAB9ANPC1
SCHEMBL478495 0.84 HDAC1 (0.54) HDAC1HDAC6HPGDRAB9ANPC1
SCHEMBL16753317 0.79 HDAC1 (0.46) HDAC1HDAC6HPGDRAB9ANPC1
SCHEMBL2015592 0.78 HTT (0.62) HPGDRAB9ANPC1SMN1; SMN2GAA
SCHEMBL12407083 0.78 HPGD (0.70) HDAC1HDAC6HPGDRAB9ANPC1
SCHEMBL15058173 0.76 HPGD (0.51) HPGDRAB9ANPC1SMN1; SMN2GAA
SCHEMBL21695366 0.76 KMT2A (0.58) HPGDRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL3006202 0.76 HPGD (0.51) HDAC1HDAC6HPGDRAB9ANPC1
SCHEMBL28618912 0.76 ALDH1A1 (0.59) HPGDRAB9ANPC1SMN1; SMN2GAA
SCHEMBL24890726 0.74 MAPT (0.57) HDAC1HDAC6RAB9ANPC1SMN1; SMN2

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 HDAC1 1371/4885HDAC6 3045/4885HPGD 1220/4885

“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.