SCHEMBL6196597

SCHEMBL6196597

COC(=O)C1=C(C)N=C(OC)NC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.48
SLC6A3 Q01959 2/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
GUSB P08236 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NPEPPS P55786 1/20 0.39

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
SCHEMBL3993699 0.83 LMNA (0.43) SLC6A3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6201423 0.78 MAPT (0.48) ADORA3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6787649 0.78 ADORA3 (0.50) ADORA3SLC6A3MEN1KMT2AMAPT
SCHEMBL6199093 0.77 ADRA1D (0.42) GAALMNAALDH1A1
SCHEMBL28346675 0.76 PKM (0.59) ADORA3KMT2AMAPTGAAGUSB
SCHEMBL6196948 0.74 GAA (0.36) MEN1KMT2AGAAHTTGUSB
SCHEMBL27875502 0.73 SMN1; SMN2 (0.52) ADORA3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7953512 0.71 SMN1; SMN2 (0.40) ADORA3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6196130 0.71 SMN1; SMN2 (0.40) ADORA3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6199790 0.71 ALDH1A1 (0.47) ADORA3MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
US-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6248747-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA WITH ANTAGONISTS SELECTIVE FOR CLONED HUMAN ALPHA-1C RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-19 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
US-5942517-A ANTAGONIST OF ALPHA(1C) RECEPTORS; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-08-24 US disclosed
WO-1998051311-A2 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-11-19 WO disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADORA3 532/4885SLC6A3 1173/4885MEN1 2855/4885

“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.