SCHEMBL478716

SCHEMBL478716

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1cc(-c2ccc(N)cc2)c(=O)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
F11 P03951 1/20 0.46
HPGD P15428 4/20 0.43
HTT P42858 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ATM Q13315 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 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
SCHEMBL478714 1.00 ALDH1A1 (0.46) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL478811 0.88 F11 (0.58) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL479148 0.88 F11 (0.44) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL479149 0.88 F11 (0.44) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL479154 0.86 F11 (0.51) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL478394 0.85 F11 (0.48) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL478391 0.85 F11 (0.48) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL478990 0.83 F11 (0.48) ALDH1A1F11HPGDHTTNPSR1
SCHEMBL3409235 0.80 ALOX5AP (0.38) ALDH1A1HPGDHTTLMNAHSD17B10
SCHEMBL478617 0.80 F11 (0.49) F11PTPRBCTSSCTSK

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 ALDH1A1 2830/4885F11 1/4885HPGD 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.