SCHEMBL7516833

SCHEMBL7516833

NNC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
IDO1 P14902 1/20 0.59
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
CNR1 P21554 1/20 0.56
POLB P06746 2/20 0.53
OGG1 O15527 1/20 0.52
LMNA P02545 3/20 0.52
F13A1 P00488 1/20 0.52
TGM2 P21980 1/20 0.52
TGM1 P22735 1/20 0.52
TGM3 Q08188 1/20 0.52
MAPT P10636 2/20 0.51

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
Hydrochloric Acid SCHEMBL9004811 0.98 MAOA (0.62) MAOAMAOBCA12CA1CA2
SCHEMBL8993463 0.86 MAOA (0.83) MAOAMAOBCA12CA1CA2
SCHEMBL20639990 0.85 KMT2A (0.68) MAOAMAOBCA1CA2MEN1
SCHEMBL5443582 0.82 MAOA (0.69) MAOAMAOBCA12CA1CA2
SCHEMBL9379426 0.81 GAA (0.68) MAOAMAOBCA12CA1CA2
SCHEMBL10589311 0.80 MAPT (0.78) CA12CA1CA2CA9MEN1
SCHEMBL16802908 0.80 PEPD (0.61) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL9578166 0.80 GAA (0.67) MAOAMAOBCA12CA1CA2
SCHEMBL3598685 0.78 MAOA (1.00) MAOAMAOBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL9004784 0.78 GAA (0.64) MAOAMAOBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN disclosed
US-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2022-11-08 US disclosed
CN-109153663-B Triazolones and tetrazolones as ROCK inhibitors 百时美施贵宝公司 2021-08-13 CN disclosed
CN-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN disclosed
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-05-20 US disclosed
EP-3768663-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Yuhan Corporation (KR) 2021-01-27 EP disclosed
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-01-26 US disclosed
CN-111886227-A Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2020-11-03 CN disclosed
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 US disclosed
EP-3464262-B1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
WO-2017205709-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-30 WO disclosed
WO-2017205709-A1 TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-30 WO disclosed
US-20170183298-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS ALLERGAN, INC. 2017-06-29 US disclosed
US-9663457-B2 Carbamoyl hydrazine derivatives as formyl peptide modulators ALLERGAN, INC. (US) 2017-05-30 US disclosed
US-20150291511-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS ALLERGAN, INC. 2015-10-15 US disclosed
EP-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 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 (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-11492335-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 MAOA 708/4885MAOB 867/4885CA12 4885/4885
US-20170183298-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS FPR1, FPR2, FPR3 MAOA 3185/4885MAOB 3312/4885CA12 2601/4885
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 MAOA 708/4885MAOB 867/4885CA12 4885/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 MAOA 951/4885MAOB 1118/4885CA12 4885/4885
US-20210147368-A1 ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, NAT1, NCOA1 MAOA 708/4885MAOB 867/4885CA12 4885/4885
US-20150291511-A1 CARBAMOYL HYDRAZINE DERIVATIVES AS FORMYL PEPTIDE MODULATORS FPR1, FPR2, FPR3 MAOA 3185/4885MAOB 3312/4885CA12 2601/4885

“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.