Sugi Predict

Sugi Predict / Compounds / SCHEMBL1105986

SCHEMBL1105986

SCHEMBL1105986

Cc1nc2cc(C(=O)O)ccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ TDP1 Q9NUW8 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ TRPV1 Q8NER1 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ LMNA P02545 3/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ KMT2A Q03164 2/20 0.48

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
SCHEMBL20481983 0.88 NPC1 (0.78) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL2945606 0.87 RAB9A (0.77) NPC1RAB9ASMN1; SMN2TDP1HSD17B10
SCHEMBL24124671 0.86 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL24052275 0.86 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL1261509 0.86 NPC1 (0.75) NPC1RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL19058585 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TRPV1ALDH1A1
SCHEMBL31120903 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL24052027 0.83 RAB9A (0.71) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL2970236 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1
SCHEMBL24702048 0.82 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HSD17B10TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 — — US claimed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 — — CN claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 — — US claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 — — WO claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 — — US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 — — WO claimed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 — — EP claimed
US-20080108676-A1 Benzothiazolecarboxamides NEW BENZOTHIAZOLECARBOXAMIDES (SE) 2008-05-08 — — US claimed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — WO claimed
EP-1833809-A1 NEW BENZOTHIAZOLECARBOXAMIDES AstraZeneca AB (SE) 2007-09-19 — — EP claimed
WO-2006068592-A1 NEW BENZOTHIAZOLECARBOXAMIDES ASTRAZENECA AB (SE) 2006-06-29 — — WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 — — US disclosed
CN-118994052-B Cyanine dye fluorescent supermolecular probe for detecting pyrene and 1-hydroxy pyrene and application thereof 国家卫生健康委职业安全卫生研究中心(国家卫生健康委煤炭工业职业医学研究中心) 2025-04-25 — — CN disclosed
EP-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 — — EP disclosed
US-20080108676-A1 Benzothiazolecarboxamides NEW BENZOTHIAZOLECARBOXAMIDES (SE) 2008-05-08 — — US disclosed
US-20080108676-A1 Benzothiazolecarboxamides NEW BENZOTHIAZOLECARBOXAMIDES (SE) 2008-05-08 — — US disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 — — WO disclosed
EP-1833809-A1 NEW BENZOTHIAZOLECARBOXAMIDES AstraZeneca AB (SE) 2007-09-19 — — EP disclosed
WO-2006068592-A1 NEW BENZOTHIAZOLECARBOXAMIDES ASTRAZENECA AB (SE) 2006-06-29 — — 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NPC1 588/4885RAB9A 3080/4885SMN1; SMN2 3479/4885
US-20080108676-A1 Benzothiazolecarboxamides QDPR, NDUFB5, NDUFB6 NPC1 1580/4885RAB9A 3886/4885SMN1; SMN2 3067/4885
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME NEU1, NEU2, NEU4 NPC1 132/4885RAB9A 967/4885SMN1; SMN2 301/4885
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK NPC1 3863/4885RAB9A 1272/4885SMN1; SMN2 2694/4885

“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.