SCHEMBL797908

SCHEMBL797908

[c]1ccc(-c2ccn[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.61
PDPK1 O15530 1/20 0.61
POLB P06746 2/20 0.57
PTPN11 Q06124 1/20 0.57
NOTUM Q6P988 4/20 0.50
HPGDS O60760 3/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LTA4H P09960 2/20 0.48
MAPK1 P28482 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2B6 P20813 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL17279817 0.83 POLB (0.77) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL2386931 0.77 SCN4A (0.61) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL3026361 0.76 SCN4A (1.00) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL3392174 0.76 PDPK1 (1.00) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL18235564 0.75 NOTUM (0.71) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL3068150 0.74 SCN4A (0.62) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL4950882 0.73 POLB (0.63) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL104517 0.73 SCN4A (0.79) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL16168729 0.73 POLB (0.63) SCN4APDPK1POLBPTPN11NOTUM
SCHEMBL3750894 0.73 POLB (0.63) SCN4APDPK1POLBPTPN11NOTUM

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - SCIENCE PARK S.P.A. (IT) 2015-10-22 US claimed
EP-2914589-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM - Science Park S.p.A. (IT) 2015-09-09 EP claimed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
US-9365541-B2 Compounds for use in the treatment of parasitic diseases IRBM—SCIENCE PARK S.P.A. (IT) 2016-06-14 US disclosed
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-01 US disclosed
EP-2615918-A1 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
CN-102858175-A Triazolones as fatty acid synthase inhibitors GLAXOSMITHKLINE LLC 2013-01-02 CN disclosed
WO-2012037298-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 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 (4 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SCN4A 2362/4885PDPK1 3699/4885POLB 2497/4885
US-20150299163-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES HDAC3, HDAC5, HDAC1 SCN4A 4739/4885PDPK1 1486/4885POLB 2115/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SCN4A 645/4885PDPK1 3622/4885POLB 2172/4885
US-20130196971-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 SCN4A 4737/4885PDPK1 849/4885POLB 3233/4885

“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.