Sugi Predict

Sugi Predict / Compounds / SCHEMBL4097866

SCHEMBL4097866

SCHEMBL4097866

CCC(=O)Nc1nc(C)cs1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.61
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ MAPT P10636 2/20 0.60
▸ POLB P06746 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ KMT2A Q03164 1/20 0.55
▸ PI4KB Q9UBF8 1/20 0.55

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
SCHEMBL19994399 0.87 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1846537 0.86 CYP1A2 (0.68) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL839625 0.86 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL27224565 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1358356 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL838537 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL5335117 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL14706944 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL20805209 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL4099160 0.83 PDE5A (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020204548-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME 재단법인 의약바이오컨버젼스연구단 2020-10-08 — — WO claimed
EP-3952870-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO LTD (CN) 2025-09-24 — — EP disclosed
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 — — CN disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 — — US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 — — US disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 — — US disclosed
CN-115677692-A Phosphatidylinositol 3-kinase inhibitors 南京征祥医药有限公司 2023-02-03 — — CN disclosed
US-11542262-B2 Phosphatidylinositol 3-kinase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-01-03 — — US disclosed
US-11542262-B2 Phosphatidylinositol 3-kinase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-01-03 — — US disclosed
CN-114025756-B Phosphatidylinositol 3-kinase inhibitors 南京征祥医药有限公司 2022-09-27 — — CN disclosed
CN-101953755-B Hair springiness and stiffness improving agent and hair cosmetic SHISEIDO CO LTD 2012-03-28 — — CN disclosed
CN-101953755-A The tension force of hair and toughness improving agent and hair-dressing cosmetics SHISEIDO CO LTD 2011-01-26 — — CN disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic SHISEIDO COMPANY, LTD. (JP) 2009-09-17 — — US disclosed
EP-1631569-B1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2009-08-26 — — EP disclosed
CN-101232863-A Agent for improving hair tension and toughness and cosmetic for hair SHISEIDO CO LTD (JP) 2008-07-30 — — CN disclosed
EP-1911750-A1 AGENT FOR IMPROVEMENT IN BOUNCE/BODY OF HAIR, AND HAIR COSMETIC Shiseido Company, Limited (JP) 2008-04-16 — — EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885ALDH1A1 1477/4885NPC1 2654/4885
US-11542262-B2 Phosphatidylinositol 3-kinase inhibitors PI4KB, PI4KA, PIK3CD SMN1; SMN2 2055/4885ALDH1A1 3189/4885NPC1 1535/4885
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 SMN1; SMN2 128/4885ALDH1A1 796/4885NPC1 719/4885
US-20090233975-A1 Hair resiliency/body improver and hair cosmetic MC1R, PNISR, HCRTR1 SMN1; SMN2 3823/4885ALDH1A1 291/4885NPC1 4539/4885
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD SMN1; SMN2 2055/4885ALDH1A1 3189/4885NPC1 1535/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885ALDH1A1 1477/4885NPC1 2654/4885

“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.