Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040996

SCHEMBL4040996

SCHEMBL4040996

Cc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ TSHR P16473 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ POLB P06746 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ G6PD P11413 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41

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
SCHEMBL31165708 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL11367151 0.82 MAPT (0.47) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL2978051 0.80 HSD17B10 (0.46) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL5802273 0.80 ALDH1A1 (0.46) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL216931 0.80 ALDH1A1 (0.46) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL6589360 0.80 TXNRD1 (0.49) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL11366588 0.80 ALDH1A1 (0.51) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL12868738 0.80 TXNRD1 (0.41) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL6771391 0.79 HTT (0.44) SMN1; SMN2HTTALDH1A1TSHRTDP1
SCHEMBL11208894 0.78 MAPT (0.59) SMN1; SMN2HTTALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 — — US disclosed
EP-4444421-A2 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS Prothena Biosciences Limited (IE) 2024-10-16 — — EP disclosed
WO-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
EP-1731512-B9 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2017-03-01 — — EP disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 — — EP disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 — — US disclosed
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 — — EP disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 — — US disclosed
WO-2000049003-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 — — WO disclosed
WO-2000049016-A1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS AMERICAN CYANAMID COMPANY (US) 2000-08-24 — — WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 — — EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 — — WO disclosed
EP-0726268-A1 Substituted benzisoxazole and benzisothiazole herbicidal agents American Cyanamid Company (US) 1996-08-14 — — EP disclosed
US-5523278-A PRE- AND POST-EMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-06-04 — — US disclosed
US-5484763-A Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 — — 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 (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-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS DYRK1A, DYRK2, DYRK1B SMN1; SMN2 551/4885HTT 257/4885ALDH1A1 3352/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885HTT 3632/4885ALDH1A1 2353/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885HTT 3632/4885ALDH1A1 2353/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885HTT 3632/4885ALDH1A1 2353/4885

“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.