SCHEMBL7631322

SCHEMBL7631322

COC(=O)c1nccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.52
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
STAT3 P40763 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP2A6 P11509 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL30301713 1.00 CNR2 (0.52) CNR2RAB9AL3MBTL1KDM4ESTAT3
SCHEMBL4122649 0.82 KMT2A (0.58) CNR2RAB9AL3MBTL1KDM4ECYP2A6
SCHEMBL16291327 0.82 RAB9A (0.52) CNR2RAB9AL3MBTL1KDM4ECYP2A6
SCHEMBL16291275 0.82 CNR2 (0.49) CNR2RAB9ACYP2A6HDAC3HDAC4
SCHEMBL16291405 0.82 TDP1 (0.50) CNR2RAB9AL3MBTL1NPC1TP53
Hydrochloric Acid SCHEMBL3062533 0.81 KMT2A (0.57) CNR2RAB9AL3MBTL1KDM4ENPC1
SCHEMBL10636707 0.81 CNR2 (0.48) CNR2RAB9AKDM4ECYP2A6HDAC3
SCHEMBL349832 0.80 CNR2 (0.56) CNR2RAB9ACYP2A6HDAC3HDAC4
SCHEMBL27799255 0.80 CNR2 (0.47) CNR2RAB9ACYP2A6HDAC3HDAC4
SCHEMBL4404077 0.80 CNR2 (0.64) CNR2RAB9ACYP2A6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444430-A Off-on near infrared lead ion detection fluorescent probe YSQ and preparation method and application thereof 江苏科技大学 2023-07-18 CN claimed
CN-113637004-B Aluminum ion detection fluorescent probe based on bifunctional small organic molecule as matrix, and preparation method and application thereof 江苏科技大学 2022-09-23 CN claimed
CN-114790200-A Fluorescence-enhanced zinc ion detection fluorescent probe ENO and preparation method and application thereof 江苏科技大学 2022-07-26 CN claimed
CN-110590756-B Phenolphthalein Schiff base fluorescent probe and preparation method and application thereof 南通大学 2022-04-22 CN claimed
CN-113637004-A Aluminum ion detection fluorescent probe based on dual-functional organic micromolecule as matrix and preparation method and application thereof 江苏科技大学 2021-11-12 CN claimed
CN-110590756-A Phenolphthalein Schiff base fluorescent probe and preparation method and application thereof 南通大学 2019-12-20 CN claimed
CN-104447547-B Synthesis method of 4-aminoisoquinoline-8-methyl formate 苏州康润医药有限公司 2017-04-19 CN claimed
EP-4724430-A1 CONDENSED AZINES AS INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE Flagship Pioneering Innovations VI, LLC (US) 2026-04-15 EP disclosed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
WO-2024254396-A1 CONDENSED AZINES AS INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE FLAGSHIP PIONEERING INNOVATIONS, VI, LLC (US) 2024-12-12 WO disclosed
CN-118955323-A Used for Al3+Naphthalene schiff base fluorescent probe for detection, preparation method and application 西安石油大学 2024-11-15 CN disclosed
CN-117286192-B Use of amide synthetases in the preparation of litaxetil intermediates and/or litaxetil 欣雅利华生物技术(上海)有限公司 2024-02-23 CN disclosed
CN-117286192-A Use of amide synthetases in the preparation of litaxetil intermediates and/or litaxetil 欣雅利华生物技术(上海)有限公司 2023-12-26 CN disclosed
EP-0934920-A2 Preparation of hydrogenated compounds using noble metal Raney catalysts SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-08-11 EP disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0724908-A1 Noble metal raney catalysts and preparation of hydrogenated compounds using such catalysts SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-08-07 EP disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0030198-B1 ISOQUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1983-03-02 EP disclosed
EP-0030198-A1 Isoquinoline derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1981-06-10 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 (1 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 CNR2 1818/4885RAB9A 1984/4885L3MBTL1 1829/4885

“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.