SCHEMBL626827

SCHEMBL626827

CCC(=O)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.76
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ PKM P14618 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ TP53 P04637 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL30071250 1.00 GAA (0.76) GAANPC1RAB9APKMSMN1; SMN2
Bromide SCHEMBL11500766 0.98 GAA (0.73) GAANPC1RAB9APKMSMN1; SMN2
Trifluoromethylbenzene SCHEMBL10520526 0.87 GAA (0.58) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL6245092 0.86 GAA (1.00) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL2562391 0.86 GAA (0.71) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL9689348 0.84 GAA (0.79) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL4491035 0.83 GAA (0.79) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL7006640 0.83 GAA (0.79) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL23976543 0.83 GAA (0.67) GAANPC1RAB9APKMSMN1; SMN2
SCHEMBL10790442 0.83 HDAC3 (0.70) GAANPC1RAB9APKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634975-B1 17-OXIMES OF 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES ORGANON R&D FINLAND LTD (FI) 2024-02-28 — — EP claimed
EP-3941906-B1 QUINOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP claimed
CN-110945007-B 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-one compounds and 17-oximes thereof for inhibiting 17 beta-hydroxysteroid dehydrogenases 佛恩多制药有限公司 2022-11-18 — — CN claimed
EP-3634975-A2 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONE COMPOUNDS AND THEIR 17-OXIMES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES Forendo Pharma Ltd (FI) 2020-04-15 — — EP claimed
WO-2018224736-A2 THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES FORENDO PHARMA LTD (FI) 2018-12-13 — — WO claimed
CN-104592006-B A kind of synthetic method of phenylpropionic acid compound 郑州大学 2016-10-26 — — CN claimed
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-11-13 — — US claimed
EP-1915363-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-04-30 — — EP claimed
WO-2007018469-A1 OXOPYRIDYL QUINOLINE AMIDES AS NK3 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-02-15 — — WO claimed
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-09 — — US disclosed
US-12331047-B2 Synthesis for 3-bromo-5-(2-ethylimidazo[1, 2-alpha]pyridine-3-carbonyl)-2-hydroxybenzonitrile ATOM THERAPEUTICS CO., LTD (CN) 2025-06-17 — — US disclosed
US-12281079-B2 Quinoline derivatives, processes for their preparation and uses thereof for the treatment of cancer LEAD DISCOVERY CENTER GMBH (DE) 2025-04-22 — — US disclosed
EP-3915984-B1 SYNTHESIS OF 3-BROMO-5-(2-ETHYLIMIDAZO[1,2-ALPHA]PYRIDINE-3-CARBONYL)-2-HYDROXYBENZONITRILE JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2024-10-30 — — EP disclosed
US-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof Aurora Fine Chemicals LLC (US) 2024-10-29 — — US disclosed
US-6110729-A TREATING RACEMIC COMPOUND WITH A STEREOSELECTIVE HYDROLASE AND ISOLATING PRODUCT; FOR CELLULAR POTASSIUM CHANNEL OPENERS USEFUL IN TREATMENT OF URINARY INCONTEINENCE, HYPERTENSION, ASTHMA, PERIPHERAL VASCULAR DISEASE, AND ANGINA ZENECA LIMITED (GB) 2000-08-29 — — US disclosed
EP-0904400-A2 ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES AstraZeneca AB (SE) 1999-03-31 — — EP disclosed
WO-1997038124-A2 ENZYMATIC PROCESS FOR STEREOSELECTIVE PREPARATION OF THERAPEUTIC AMIDES ZENECA LIMITED (GB) 1997-10-16 — — WO disclosed
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 — — US disclosed
US-5290943-A Halogenation of pyridine compound ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1994-03-01 — — US disclosed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 — — EP 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 (5 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-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 GAA 168/4885NPC1 982/4885RAB9A 1538/4885
US-12331047-B2 Synthesis for 3-bromo-5-(2-ethylimidazo[1, 2-alpha]pyridine-3-carbonyl)-2-hydroxybenzonitrile CYP1B1, CYP8B1, HAO2 GAA 2919/4885NPC1 4489/4885RAB9A 2870/4885
US-20080280949-A1 Oxopyridyl Quinoline Amides as Nk3 Receptor Modulators KCNA3, KCNQ3, GPR3 GAA 3040/4885NPC1 2039/4885RAB9A 1964/4885
US-12281079-B2 Quinoline derivatives, processes for their preparation and uses thereof for the treatment of cancer AVPR2, AVPR1A, VHL GAA 939/4885NPC1 1788/4885RAB9A 716/4885
US-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof CNR1, CNR2, FAAH GAA 3628/4885NPC1 306/4885RAB9A 1049/4885

“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.

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