SCHEMBL8156901

SCHEMBL8156901

CNCc1cc([N+](=O)[O-])ccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 1/20 0.45
CCR6 P51684 1/20 0.45
POLB P06746 2/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
GLA P06280 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL2835652 0.82 MAPT (0.57) MAPTALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL7563670 0.81 MAPT (0.56) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL16951816 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30279975 0.81 CYP19A1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL19742418 0.81 CYP19A1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8163363 0.81 NPBWR1 (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL22658049 0.79 MAPT (0.44) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL7568613 0.78 CYP19A1 (0.57) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL8609293 0.77 MAPT (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL17700744 0.76 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
WO-2008079836-A2 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 MAPT 2666/4885ALDH1A1 4067/4885MEN1 872/4885

“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.