SCHEMBL377487

SCHEMBL377487

Cc1c(Cc2ccccc2)c(=O)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
KDM4E B2RXH2 8/20 0.68
RAB9A P51151 1/20 0.65
DAO P14920 1/20 0.54
DDO Q99489 1/20 0.54
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
GAA P10253 2/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 1/20 0.51
TYMP P19971 1/20 0.47
CYP1A2 P05177 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AHR P35869 1/20 0.46
TNKS O95271 1/20 0.46
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL31192183 1.00 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL9273029 0.83 KDM4E (0.58) ALDH1A1KDM4ERAB9AHPGDHSD17B10
SCHEMBL12559597 0.81 RAB9A (0.76) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL5313245 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9AHPGDHSD17B10
SCHEMBL14485203 0.79 KDM4E (0.65) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL31146266 0.79 KDM4E (0.65) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL7654131 0.76 RAB9A (0.72) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL6920607 0.76 MAPT (0.61) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28543275 0.76 AHR (0.52) ALDH1A1KDM4ERAB9ADAODDO
SCHEMBL27410859 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ERAB9AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
EP-1912647-B1 QUINOLINE DERIVATIVES AS ANTIBACTERICAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2013-09-11 EP disclosed
EP-2408863-A2 NUCLEIC ACID BINDING DYES AND USES THEREFOR Promega Corporation (US) 2012-01-25 EP disclosed
US-8017606-B2 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-8017606-B2 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN-CILAG (FR) 2011-05-26 US disclosed
US-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN-CILAG (FR) 2011-05-26 US disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
WO-2010107816-A2 NUCLEIC ACID BINDING DYES AND USES THEREFOR PROMEGA CORPORATION (US) 2010-09-23 WO disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 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 (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-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS NQO2, NAT1, HRH1 ALDH1A1 1105/4885KDM4E 4569/4885RAB9A 903/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 ALDH1A1 1106/4885KDM4E 4559/4885RAB9A 768/4885
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance RER1, HRH4, HRH1 ALDH1A1 2650/4885KDM4E 3332/4885RAB9A 206/4885

“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.