SCHEMBL13619369

SCHEMBL13619369

CC(C)(C)c1ccc(CN)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR1D P28221 4/20 0.42
ALOX5AP P20292 1/20 0.41
EPHX2 P34913 3/20 0.41
NR1H4 Q96RI1 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL24196148 0.86 IDO1 (0.46) IDO1HTR1DALOX5APEPHX2NR1H4
SCHEMBL4831664 0.85 IDO1 (0.41) IDO1EPHX2NR1H4LOXL2DPP4
SCHEMBL8101172 0.84 IDO1 (0.43) IDO1CYP1A2CYP2C19HTR1DALOX5AP
SCHEMBL507107 0.82 IDO1 (0.62) IDO1LOXL2MAOBKIF11
SCHEMBL10162939 0.82 EPHX2 (0.45) IDO1CYP1A2CYP2C19HTR1DALOX5AP
SCHEMBL10233336 0.80 ALDH1A1 (0.57) CYP1A2CYP2C19HTR1DEPHX2NR1H4
Hydrochloric Acid SCHEMBL30525006 0.80 IDO1 (0.66) IDO1LOXL2MAOB
SCHEMBL14297625 0.80 EPHX2 (0.44) IDO1CYP1A2CYP2C19ALOX5APEPHX2
SCHEMBL6644304 0.80 PON1 (0.45) IDO1CYP1A2CYP2C19HTR1DALOX5AP
SCHEMBL18701033 0.80 CYP1A2 (0.43) IDO1CYP1A2CYP2C19HTR1DALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (3 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 IDO1 2033/4885CYP1A2 409/4885CYP2C19 268/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 IDO1 4393/4885CYP1A2 873/4885CYP2C19 735/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 IDO1 4393/4885CYP1A2 873/4885CYP2C19 735/4885

“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.