SCHEMBL16744679

SCHEMBL16744679

CCCc1cc([N+](=O)[O-])cc(F)c1OCC(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.33
FKBP1A P62942 1/20 0.33
KMT2A Q03164 2/20 0.33
NAMPT P43490 1/20 0.33
GPR174 Q9BXC1 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL16747605 0.79 HTR2C (0.37) SRD5A2ALDH1A1HTTLMNAKMT2A
SCHEMBL16744681 0.79 POLB (0.33) SRD5A2ALDH1A1POLBHTTMAPT
SCHEMBL16744682 0.79 POLB (0.33) SRD5A2ALDH1A1POLBHTTMAPT
SCHEMBL16744704 0.72 MEN1 (0.41) ALDH1A1POLBHTTMAPTALOX5
SCHEMBL16744706 0.72 MEN1 (0.41) ALDH1A1POLBHTTMAPTALOX5
SCHEMBL16744731 0.72 PDE4D (0.35) POLBHTTKMT2AMEN1
SCHEMBL16744707 0.70 MEN1 (0.34) ALDH1A1POLBHTTMAPTLMNA
SCHEMBL16744683 0.70
SCHEMBL16744703 0.70 HTT (0.46) ALDH1A1POLBHTTMAPTTDP1
SCHEMBL7712725 0.68 PTGS2 (0.50) SRD5A2ALDH1A1POLBHTTMAPT

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 SRD5A2 913/4885ALDH1A1 2542/4885POLB 3062/4885

“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.