SCHEMBL6326717

SCHEMBL6326717

CCCOS(=O)(=O)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
P2RY1 P47900 1/20 0.35
ENPP3 O14638 2/20 0.34
ENPP1 P22413 2/20 0.34
ENPP2 Q13822 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL6329861 0.94 KMT2A (0.39) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6324299 0.91 KMT2A (0.42) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6321845 0.85 KDM4E (0.43) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6323995 0.82 TAS1R3 (0.42) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6329992 0.80 SMN1; SMN2 (0.40) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6324376 0.79 MRGPRX1 (0.43) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6323916 0.75 MRGPRX1 (0.40) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL6325457 0.74 MRGPRX1 (0.41) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL7599829 0.72 KDM4E (0.41) MRGPRX1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL7598898 0.71 KMT2A (0.42) MRGPRX1KMT2ASMN1; SMN2MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150250-A1 A PROCESS FOR THE PREPARATION OF ATOGEPANT AND ITS INTERMEDIATES MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-07-18 WO disclosed
US-20140322646-A1 ABLATION IMAGEABLE LITHOGRAPHIC PRINTING PLATE NPEC INC. 2014-10-30 US disclosed
US-20140065407-A1 MANUFACTURE OF LITHOGRAPHIC PRINTING PLATE PRECURSORS FOR ABLATION IMAGING KODAK REALTY INC. 2014-03-06 US disclosed
WO-2012106169-A1 METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATES EASTMAN KODAK COMPANY (US) 2012-08-09 WO disclosed
US-20120192741-A1 METHOD FOR PREPARING LITHOGRAPHIC PRINTING PLATES NPEC INC. 2012-08-02 US disclosed
WO-2012099833-A1 PREPARING LITHOGRAPHIC PRINTING PLATES BY ABLATION IMAGING EASTMAN KODAK COMPANY (US) 2012-07-26 WO disclosed
US-20120189770-A1 PREPARING LITHOGRAPHIC PRINTING PLATES BY ABLATION IMAGING KODAK REALTY INC. 2012-07-26 US disclosed
US-20050239107-A1 Trapped photochromes and thermochromes and uses for chromogenic detection, including detection of airborne contaminants MERIS INVESTMENT INC. 2005-10-27 US disclosed
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 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 (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-20050239107-A1 Trapped photochromes and thermochromes and uses for chromogenic detection, including detection of airborne contaminants CBX3, CBX6, CBX2 MRGPRX1 2597/4885KMT2A 734/4885SMN1; SMN2 4522/4885

“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.