SCHEMBL5148317

SCHEMBL5148317

CC(N)c1ccc(Cl)c(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
PNMT P11086 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
VCAM1 P19320 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7752167 0.76 VCAM1 (0.35) LMNAHTTCYP1A2ALDH1A1TSHR
SCHEMBL7752161 0.76 VCAM1 (0.35) LMNAHTTCYP1A2ALDH1A1TSHR
SCHEMBL7752158 0.75 VCAM1 (0.32) LMNACYP1A2ALDH1A1TSHRVCAM1
SCHEMBL23152122 0.74 ALDH1A1 (0.44) LMNATP53HTTCYP3A4ALDH1A1
SCHEMBL5149879 0.74 PDK1 (0.37) LMNAALDH1A1MAPTSMN1; SMN2PDE2A
SCHEMBL11303709 0.73 ALDH1A1 (0.48) LMNATP53HTTALDH1A1TSHR
SCHEMBL7878527 0.70 GPR35 (0.44) TP53CYP3A4ALDH1A1TSHRVCAM1
SCHEMBL25171482 0.70 PTGER4 (0.41) LMNATP53HTTALDH1A1TSHR
SCHEMBL27991485 0.70 MCL1 (0.37) TP53ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10801476 0.69 TSHR (0.48) LMNAALDH1A1TSHRVCAM1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617807-A4 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
CN-1853723-A Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction ORTHO MCNEIL PHARM INC (US) 2006-11-01 CN disclosed
US-20060235007-A1 Substituted 1,4-diazepines and uses thereof LU TIANBAO 2006-10-19 US disclosed
EP-1712235-A2 Combinational therapy involving a small molecule inhibitor of the MDM2: P53 interaction Ortho-McNeil Pharmaceutical, Inc. (US) 2006-10-18 EP disclosed
US-7115598-B2 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-10-03 US disclosed
CN-1809362-A Substituted 1,4-diazepines and uses thereof JOHNSON & JOHNSON (US) 2006-07-26 CN disclosed
EP-1617807-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF Ortho-McNeil Pharmaceuticals, Inc. (US) 2006-01-25 EP disclosed
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction ORTHO-MCNEIL PHARMACEUTICAL, INC. 2005-10-13 US disclosed
WO-2004096134-A2 SUBSTITUTED 1,4-DIAZEPINES AND USES THEREOF ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-04 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-20060235007-A1 Substituted 1,4-diazepines and uses thereof MDM2, TP53, RB1 LMNA 3920/4885TP53 2/4885HTT 400/4885
US-20050227932-A1 Combinational therapy involving a small molecule inhibitor of the MDM2: p53 interaction TP53, MDM2, TP53BP1 LMNA 3794/4885TP53 1/4885HTT 1312/4885
US-20040220179-A1 Substituted 1,4-diazepines and uses thereof TP53, MDM2, HRH2 LMNA 3185/4885TP53 1/4885HTT 389/4885

“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.