SCHEMBL2517320

SCHEMBL2517320

CC(Br)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
GLS O94925 1/20 0.46
MEN1 O00255 1/20 0.45
DRD3 P35462 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL9340887 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ACASP3CA12CA9
SCHEMBL4482770 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ACASP3CA12CA9
SCHEMBL30377710 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ACASP3CA12CA9
SCHEMBL2599260 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTCASP3CA12
SCHEMBL3389540 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTCASP3CA12
SCHEMBL4309242 0.81 ALDH1A1 (0.59) ALDH1A1MAPTCASP3GLSMAOB
SCHEMBL14318320 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTCASP3CA12
SCHEMBL2599263 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTCASP3CA12
SCHEMBL3379010 0.80 ELANE (0.51) ALDH1A1KMT2ACASP3CA12CA9
SCHEMBL17280822 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462652-B Alpha-mangostin derivative and preparation method and application thereof 中国农业大学 2025-05-06 CN disclosed
CN-116462652-A Alpha-mangostin derivative and preparation method and application thereof 中国农业大学 2023-07-21 CN disclosed
CN-107540647-B -amino alkyl furan phenol ether and preparation method and application thereof 湖南大学 2020-11-24 CN disclosed
CN-107540647-A δ aminoalkyl furans phenolic ethers and preparation method and application 湖南大学 2018-01-05 CN disclosed
US-20130217672-A1 (+)-3-HYDROXYMORPHINAN-BASED POLYCYCLE DERIVATIVES GREEN CROSS CORPORATION (KR) 2013-08-22 US disclosed
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
EP-2569320-A2 (+)-3-HYDROXYMORPHINAN-BASED POLYCYCLE DERIVATIVES AS NEUROPROTECTANTS Green Cross Corporation (KR) 2013-03-20 EP disclosed
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
EP-1966142-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2008-09-10 EP disclosed
WO-2007072092-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 EP disclosed
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists SMITHKLINE BEECHAM S.P.A. 2002-06-06 US disclosed
EP-1019377-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. Smithkline Beecham S.p.A. (IT) 2000-07-19 EP disclosed
WO-1997019926-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEUROKININ 3 (NK-3)- AND NEUROKININ 2 (NK-2) RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 WO disclosed
EP-0111281-B1 NEW CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 EP disclosed
US-4719206-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-01-12 US disclosed
US-4584290-A MICROBIOCIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-22 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 (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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 ALDH1A1 3460/4885KMT2A 2478/4885MAPT 3406/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 ALDH1A1 3348/4885KMT2A 2406/4885MAPT 3401/4885
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H ALDH1A1 2701/4885KMT2A 4312/4885MAPT 2721/4885
US-20130217672-A1 (+)-3-HYDROXYMORPHINAN-BASED POLYCYCLE DERIVATIVES HTT, PARK7, HTR3A ALDH1A1 2197/4885KMT2A 4458/4885MAPT 77/4885
US-20020068827-A1 Quinoline-4-carboxamide derivatives, their preparation and their use as neurokinin 3 ( NK-3 ) - and neurokinin 2 ( NK-3 ) receptor antagonists TAC3, TACR2, TACR1 ALDH1A1 2059/4885KMT2A 733/4885MAPT 4548/4885

“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.