SCHEMBL9754385

SCHEMBL9754385

COc1cccc(-c2ccccc2)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL7932563 0.86 ERN1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6536020 0.85 ERN1 (0.47) ERN1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL8917120 0.82 ERN1 (0.42) ERN1NPC1RAB9AKDM4EMAPT
SCHEMBL30749700 0.81 MEN1 (0.37) ERN1RAB9AKDM4EMEN1KMT2A
SCHEMBL29209371 0.81 MEN1 (0.37) ERN1RAB9AKDM4EMEN1KMT2A
SCHEMBL3679777 0.81 ERN1 (0.54) ERN1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL170690 0.80 ERN1 (0.55) ERN1KDM4EMAPTTLR2TLR1
SCHEMBL954787 0.80 MEN1 (0.53) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL6536016 0.79 ERN1 (0.50) ERN1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28635052 0.79 ERN1 (0.47) ERN1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003320-A Preparation method of phenanthridine compound 武汉理工大学深圳研究院 2023-04-25 CN disclosed
CN-103068830-B Arginase inhibitors and therapeutic uses thereof 马尔斯公司 2016-06-29 CN disclosed
CN-103068830-A Arginase inhibitors and therapeutic uses thereof MARS INC 2013-04-24 CN disclosed
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-11-29 US disclosed
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 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 (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-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 ERN1 354/4885NPC1 2190/4885RAB9A 1623/4885

“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.