SCHEMBL7242559

SCHEMBL7242559

CCC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 6/20 0.44
GLO1 Q04760 1/20 0.43
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
NTSR1 P30989 1/20 0.39
MEN1 O00255 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
FBP1 P09467 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
SCHEMBL7242556 1.00 KDM4E (0.46) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7237785 0.91 KDM4E (0.45) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7237781 0.91 KDM4E (0.45) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7236509 0.89 GLO1 (0.52) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7236503 0.89 GLO1 (0.52) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7238876 0.88 KDM4E (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7238878 0.88 KDM4E (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7236552 0.85 KDM4E (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7236548 0.85 KDM4E (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7637951 0.84 MAPT (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA

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-6608086-B2 Selective adrenergic receptor alpha 1C antagonists without significant calcium channel activity; treating benign prostatic hyperplasia, intraocular pressure and inhibiting cholesterol synthesis SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-19 US disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 US disclosed
US-6310076-B1 TREATING BENIGN PROSTATIC HYPERPLASIA, LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, TREATING DISEASES MEDIATED BY ALPHA-1 RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-10-30 US disclosed
US-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed
US-5767131-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-06-16 US disclosed
WO-1994022829-A2 DIHYDROPYRIDINES AND NEW USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-10-13 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-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 KDM4E 2785/4885MAPT 3869/4885SMN1; SMN2 3900/4885

“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.