SCHEMBL478796

SCHEMBL478796

CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)c1cc(-c2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 2/20 0.38
DYRK1A Q13627 1/20 0.35
CYP1A2 P05177 1/20 0.35
GSK3B P49841 1/20 0.35
CYP2D6 P10635 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
ALOX5 P09917 1/20 0.33
F11 P03951 1/20 0.33

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
SCHEMBL478795 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3434288 0.93 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL479149 0.87 F11 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL479148 0.87 F11 (0.44) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL479109 0.85 PPARG (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL479110 0.85 PPARG (0.40) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL478943 0.83 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL478941 0.83 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL478745 0.77 F11 (0.46) MAPTGAAAAK1F11
SCHEMBL478746 0.77 F11 (0.46) MAPTGAAAAK1F11

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 MAPT 774/4885ALDH1A1 2830/4885SMN1; SMN2 3209/4885

“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.