Sugi Predict

Sugi Predict / Compounds / SCHEMBL584462

SCHEMBL584462

SCHEMBL584462

Brc1ccc(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40

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
SCHEMBL30930597 1.00 NPC1 (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27826274 0.91 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL787481 0.87 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29740319 0.87 CYP19A1 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29776270 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20176443 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30538455 0.82 RAB9A (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18858288 0.82 RAB9A (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16520501 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17807026 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874731-A Organic photochromic compound containing B-N bond and preparation method and application thereof 兰州大学 2025-04-25 — — CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
WO-2024175026-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL USE THEREOF 哈尔滨三联药业股份有限公司 2024-08-29 — — WO disclosed
CN-118546109-A Nitrogen-containing heterocyclic compound and medical application thereof 哈尔滨三联药业股份有限公司 2024-08-27 — — CN disclosed
WO-2024096753-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 — — WO disclosed
WO-2024094819-A1 NEK7 DEGRADERS AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2024-05-10 — — WO disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 — — US disclosed
WO-2023160187-A1 CARBAZOLE DERIVATIVE AND USE THEREOF 上海八亿时空先进材料有限公司 2023-08-31 — — WO disclosed
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 — — EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 — — WO disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 — — WO disclosed
CN-1138764-C Isoxazole derivatives ס����ҩ��ʽ���� 2004-02-18 — — CN disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 — — US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 — — US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 — — EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 — — US disclosed
CN-1252794-A Isoxazole derivatives SUMITOMO PHARMA (JP) 2000-05-10 — — CN disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 — — EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 — — 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 (3 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-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 NPC1 3734/4885RAB9A 2393/4885SMN1; SMN2 4601/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 NPC1 1948/4885RAB9A 2962/4885SMN1; SMN2 1541/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 NPC1 4533/4885RAB9A 893/4885SMN1; SMN2 4155/4885

“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.