SCHEMBL16744647

SCHEMBL16744647

CN(CC(=O)c1ccccc1)Cc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18186393 0.78 ALDH1A1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7492893 0.77 ALDH1A1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL7487445 0.76 ALDH1A1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL4532764 0.75 ALDH1A1 (0.53) LMNAALDH1A1CRHBPCRHR2
SCHEMBL27479550 0.74 ALDH1A1 (0.49) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL2568587 0.74 ALDH1A1 (0.47) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL10848960 0.74 ALDH1A1 (0.51) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL16737740 0.73 CYP19A1 (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL21305483 0.72 ALDH1A1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL29946423 0.72 ALDH1A1 (0.48) KMT2AMEN1MAPTLMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 KMT2A 2571/4885MEN1 1271/4885MAPT 4601/4885

“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.