SCHEMBL5035528

SCHEMBL5035528

N#CC(Cl)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.57
HSD17B10 Q99714 1/20 0.53
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
PDE7A Q13946 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL2817587 0.83 VCAM1 (0.55) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL4656744 0.79 VCAM1 (0.51) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL17125223 0.76 HSD17B10 (0.60) VCAM1HSD17B10LMNAKMT2AALDH1A1
SCHEMBL5779364 0.76 HSD17B10 (0.60) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL28266093 0.75 HSD17B10 (0.55) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL15525169 0.75 VCAM1 (0.50) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL10789270 0.74 HSD17B10 (0.53) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL10748243 0.73 HSD17B10 (0.56) VCAM1HSD17B10LMNAKMT2AALDH1A1
SCHEMBL16954413 0.73 HSD17B10 (0.56) VCAM1HSD17B10MAPTLMNAKMT2A
SCHEMBL19862412 0.73 HSD17B10 (0.56) VCAM1HSD17B10MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 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-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC VCAM1 2321/4885HSD17B10 4667/4885MAPT 1263/4885

“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.