Sugi Predict

Sugi Predict / Compounds / SCHEMBL3407155

SCHEMBL3407155

SCHEMBL3407155

Nc1nc(-c2ccccc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 1.00
▸ NR1H4 Q96RI1 2/20 0.63
▸ SMN1; SMN2 Q16637 9/20 0.58
▸ GPR55 Q9Y2T6 1/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ NPC1 O15118 6/20 0.55
▸ NFKB1 P19838 4/20 0.55
▸ NFKB2 Q00653 4/20 0.55
▸ RELA Q04206 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50

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
SCHEMBL2768635 0.83 NOTUM (0.70) NOTUMSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL31215052 0.79 NOTUM (0.66) NOTUMNR1H4SMN1; SMN2RAB9ANPC1
SCHEMBL24061386 0.79 NOTUM (0.66) NOTUMSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL18977807 0.79 NOTUM (0.66) NOTUMNR1H4SMN1; SMN2RAB9ANPC1
SCHEMBL17655996 0.79 NOTUM (0.65) NOTUMNR1H4ALDH1A1KDM4E
SCHEMBL9233042 0.79 CHRNB2 (0.69) NOTUMSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL22761301 0.78 NOTUM (0.63) NOTUMNR1H4SMN1; SMN2GPR55RAB9A
SCHEMBL1473020 0.77 NR1H4 (1.00) NOTUMNR1H4SMN1; SMN2GPR55RAB9A
SCHEMBL22925912 0.76 NOTUM (0.61) NOTUMSMN1; SMN2CHUKCASP3TXNRD1
SCHEMBL16592554 0.76 NR1H4 (0.78) NOTUMNR1H4SMN1; SMN2GPR55RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912611-B Benzopyran cosmetic auxiliary material with effect of removing free radicals and preparation method thereof 浙江瑀美生物科技有限公司 2021-07-20 — — CN claimed
CN-109912611-A A kind of benzo pyran cosmetic and preparation method thereof with removing free radical effect 河南湾流生物科技有限公司 2019-06-21 — — CN claimed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
EP-3684357-B1 HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2022-12-28 — — EP disclosed
CN-109912611-B Benzopyran cosmetic auxiliary material with effect of removing free radicals and preparation method thereof 浙江瑀美生物科技有限公司 2021-07-20 — — CN disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
WO-2019182527-A1 METHYL JASMONATE DERIVATIVES AS POSSIBLE DRUG CANDIDATES FOR USE IN TREATMENT OF CANCER T.C. ISTANBUL MEDIPOL UNIVERSITESI (TR) 2019-09-26 — — WO disclosed
CN-109912611-A A kind of benzo pyran cosmetic and preparation method thereof with removing free radical effect 河南湾流生物科技有限公司 2019-06-21 — — CN disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 — — US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 — — EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 — — US disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 — — US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 — — US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 — — WO disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
EP-0342726-A1 New 3,5-substituted 1,2,4-oxadiazoles DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-11-23 — — EP disclosed
US-4689335-A Heterocyclic guanidines for treating gastrointestinal motility dysfunction WILLIAM H. RORER, INC. (US) 1987-08-25 — — 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 (6 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 NOTUM 861/4885NR1H4 707/4885SMN1; SMN2 2327/4885
US-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B NOTUM 4636/4885NR1H4 613/4885SMN1; SMN2 1591/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 NOTUM 1/4885NR1H4 257/4885SMN1; SMN2 451/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT NOTUM 5/4885NR1H4 68/4885SMN1; SMN2 74/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 NOTUM 671/4885NR1H4 669/4885SMN1; SMN2 2535/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NOTUM 4217/4885NR1H4 1316/4885SMN1; SMN2 3501/4885

“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.