SCHEMBL1491698

SCHEMBL1491698

COC(=O)C1Cc2ccccc2CN1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
GAA P10253 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
BLM P54132 1/20 0.46
SMYD3 Q9H7B4 1/20 0.45

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
SCHEMBL6866846 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29715383 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL32677077 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491696 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29707282 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL30665771 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL10749367 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL8724704 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL14059291 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL27478435 0.85 MEN1 (0.47) KMT2AMEN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105294833-B Isoquinolin -3- formyl-RI-OBzl are prepared, nanostructure, activity and application 首都医科大学 2018-09-07 CN claimed
CN-105777712-B Tetrahydroisoquinoliderivs derivs and its application 沈阳药科大学 2018-05-22 CN claimed
CN-104211767-B The formamido group acyl oligopeptides of isoquinolin 3, it is prepared, nanostructured, antitumor activity and application 首都医科大学 2017-08-18 CN claimed
CN-105315333-A Isoquinoline-3-formyl-RV-OBzl, and preparation, nano structure, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2016-02-10 CN claimed
CN-105315334-A Isoquinoline-3-formyl-RF-OBzl, and preparation, nano structure, activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2016-02-10 CN claimed
CN-105294833-A Isoquinoline-3-formyl-RI-OBzl, preparation therefor, nanostructure thereof, activity thereof and application thereof UNIV CAPITAL MEDICAL SCIENCES 2016-02-03 CN claimed
CN-105218625-A Isoquinoline class derivate, its preparation, nanostructure, active and application UNIV CAPITAL MEDICAL SCIENCES 2016-01-06 CN claimed
CN-105218629-A Isoquinoline 99.9-3-formyl-RC-OBzl, its preparation, nanostructure, active and application UNIV CAPITAL MEDICAL SCIENCES 2016-01-06 CN claimed
CN-104211767-A Isoquinoline-3-formylaminoacyl oligopeptides, preparation, nano structure, antitumor activity, and applications thereof UNIV CAPITAL MEDICAL SCIENCES 2014-12-17 CN claimed
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2024-08-08 US disclosed
US-11845724-B2 USP30 inhibitors and uses thereof VINCERE BIOSCIENCES, INC. (US) 2023-12-19 US disclosed
EP-4276533-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
EP-4276534-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
US-11746097-B2 LXR inverse agonists for treatment of cancer SAINT LOUIS UNIVERSITY (US) 2023-09-05 US disclosed
US-4585758-A Angiotensin-converting enzyme inhibitors USV PHARMACEUTICAL CORP. (US) 1986-04-29 US disclosed
EP-0155809-A2 Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1985-09-25 EP disclosed
EP-0127090-A2 Angiotensin-converting enzyme inhibitors USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 EP disclosed
EP-0018549-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1981-12-30 EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 US disclosed
EP-0018549-A2 Tetrahydroisoquinoline compounds, process for preparing them and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-11-12 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 (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-11746097-B2 LXR inverse agonists for treatment of cancer NR1H2, NR1H3, PPARD KDM4E 2035/4885ALDH1A1 2432/4885CYP1A2 1701/4885
US-11845724-B2 USP30 inhibitors and uses thereof USP30, USP28, USP1 KDM4E 732/4885ALDH1A1 2021/4885CYP1A2 3724/4885
US-20240262792-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 KDM4E 732/4885ALDH1A1 2021/4885CYP1A2 3724/4885

“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.