SCHEMBL2406326

SCHEMBL2406326

CCC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
MAPT P10636 2/20 0.69
POLB P06746 2/20 0.69
APAF1 O14727 1/20 0.69
RECQL P46063 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
MPO P05164 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
PMP22 Q01453 1/20 0.65
HIF1A Q16665 1/20 0.65
HTR2A P28223 2/20 0.60
ALOX15 P16050 1/20 0.57
DNMT1 P26358 3/20 0.56
ACE P12821 2/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL7855506 0.94 SMN1; SMN2 (0.74) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL22850401 0.87 HTR2A (0.62) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL10990213 0.86 KDM4E (0.58) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL9402455 0.85 SMN1; SMN2 (0.67) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL4987528 0.83 SMN1; SMN2 (0.76) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL4989677 0.83 SMN1; SMN2 (0.63) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL9449541 0.83 SMN1; SMN2 (0.77) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL7430891 0.82 KDM4E (0.61) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL5159730 0.82 POLB (1.00) KDM4EMAPTPOLBAPAF1RECQL
SCHEMBL9880194 0.82 POLB (1.00) KDM4EMAPTPOLBAPAF1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-9272993-B2 Naphthoquinone derivatives useful for prevention of amyloid deposits and treatment of diseases involving amyloidogenesis RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2016-03-01 US disclosed
US-20140213627-A1 NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2014-07-31 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US 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 (4 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KDM4E 916/4885MAPT 845/4885POLB 1101/4885
US-20140213627-A1 NAPHTHOQUINONE DERIVATIVES USEFUL FOR PREVENTION OF AMYLOID DEPOSITS AND TREATMENT OF DISEASES INVOLVING AMYLOIDOGENESIS APP, PSEN1, PSEN2 KDM4E 4123/4885MAPT 14/4885POLB 2372/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 KDM4E 452/4885MAPT 1419/4885POLB 4374/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS KDM4E 2660/4885MAPT 1116/4885POLB 1161/4885

“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.