SCHEMBL1788009

SCHEMBL1788009

Brc1ncn(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
HPGD P15428 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 2/20 0.47
MAPT P10636 5/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15B O15296 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 3/20 0.40
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL1844349 0.79 NOTUM (0.41) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL3751447 0.79 MKNK1 (0.39) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL16073029 0.79 ALDH1A1 (0.43) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL28702945 0.79 NPC1 (0.31) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL18278129 0.77 KEAP1 (0.47) SMN1; SMN2NPC1NOTUMKMT2ATP53
SCHEMBL18291888 0.77 ALDH1A1 (0.42) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL22897475 0.75 CYP11B2 (0.41) SMN1; SMN2MAPTNOTUMALDH1A1TDP1
SCHEMBL28682705 0.75 NOTUM (0.32) NOTUMALDH1A1
SCHEMBL22897465 0.75 CYP1A2 (0.47) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL22660841 0.75 KCNH2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
CN-113444097-A Tri-carbazole derivative, organic photoelectric device, and display or lighting device 浙江华显光电科技有限公司 2021-09-28 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
US-10766869-B2 Triazoles for the treatment of demyelinating dieases VERTEX PHARMACEUTCALS INCORPORATED (US) 2020-09-08 US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 US disclosed
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMA (US) 2019-06-20 US disclosed
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-11-06 US disclosed
WO-2018106646-A1 AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 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 (9 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 SMN1; SMN2 1774/4885HPGD 1582/4885NPC1 3467/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD SMN1; SMN2 2662/4885HPGD 1320/4885NPC1 2144/4885
US-10118904-B2 Triazoles for the treatment of Demyelinating Diseases PMP22, MYT1, IKZF3 SMN1; SMN2 32/4885HPGD 2649/4885NPC1 346/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 SMN1; SMN2 32/4885HPGD 2649/4885NPC1 346/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 SMN1; SMN2 2523/4885HPGD 1893/4885NPC1 3112/4885
US-10766869-B2 Triazoles for the treatment of demyelinating dieases PMP22, MYT1, IDE SMN1; SMN2 119/4885HPGD 1990/4885NPC1 1117/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SMN1; SMN2 1774/4885HPGD 1582/4885NPC1 3467/4885
US-20190185436-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 SMN1; SMN2 32/4885HPGD 2649/4885NPC1 346/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SMN1; SMN2 1774/4885HPGD 1582/4885NPC1 3467/4885

“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.