SCHEMBL8157066

SCHEMBL8157066

CC(C)(CCc1ccc([N+](=O)[O-])cc1CO)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
F2R P25116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 2/20 0.36
LTB4R Q15722 1/20 0.36
ITGA4 P13612 2/20 0.35
ITGB7 P26010 2/20 0.35
PTGS2 P35354 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8164225 0.88 ITGA4 (0.38) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL8156535 0.85 MAPT (0.44) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL8168798 0.84 ERN1 (0.42) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL29424201 0.78 ITGA4 (0.40) KMT2AMEN1MAPTLMNAF2R
SCHEMBL13331264 0.78 ITGA4 (0.40) KMT2AMEN1MAPTLMNAF2R
SCHEMBL16956593 0.72 ALDH1A1 (0.46) KMT2AMEN1MAPTLMNAF2R
SCHEMBL6291402 0.72 TSHR (0.55) KMT2AMAPTLMNASMN1; SMN2CA1
SCHEMBL14267141 0.72 MAPT (0.40) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL19733666 0.72 CYP3A4 (0.44) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL29367937 0.72 CYP1A2 (0.51) MAPTLMNASMN1; SMN2CA1CA2

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-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 KMT2A 2808/4885MEN1 872/4885MAPT 2666/4885

“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.