SCHEMBL7969155

SCHEMBL7969155

CC(C)OC(=NC#N)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PKM P14618 3/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 2/20 0.37
KMT2A Q03164 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL7969153 1.00 KDM4E (0.40) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL7970282 0.83 KDM4E (0.43) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL7970278 0.83 KDM4E (0.43) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL9270772 0.75 KDM4E (0.40) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL9270775 0.75 KDM4E (0.40) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL7972359 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2AGLALMNA
SCHEMBL7969659 0.72 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1PKMPOLB
SCHEMBL7007267 0.72 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1PKMPOLB
SCHEMBL23912944 0.70 POLB (0.53) KDM4EALDH1A1RAB9ANPC1PKM
SCHEMBL19668773 0.70 ALDH1A1 (0.46) KDM4EALDH1A1RAB9ANPC1PKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US disclosed
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same An2H Discovery Limited (IE) 2019-06-04 US disclosed
EP-3463347-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2019-04-10 EP disclosed
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2018-05-03 US disclosed
WO-2017210694-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 WO disclosed
US-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 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-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ATG7, ADRM1 KDM4E 2214/4885ALDH1A1 504/4885RAB9A 1985/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KDM4E 2376/4885ALDH1A1 636/4885RAB9A 1771/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 KDM4E 2376/4885ALDH1A1 636/4885RAB9A 1771/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 KDM4E 2214/4885ALDH1A1 504/4885RAB9A 1985/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 KDM4E 2376/4885ALDH1A1 636/4885RAB9A 1771/4885

“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.