SCHEMBL6720608

SCHEMBL6720608

COC(c1ccc(F)cc1)c1cnc2occ(C(=O)O)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
MAOB P27338 3/20 0.34
IKBKE Q14164 2/20 0.34
TBK1 Q9UHD2 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
ABCC4 O15439 1/20 0.34
TTR P02766 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL6720566 0.84 MAOB (0.37) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL6720456 0.77 MAOB (0.38) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL792153 0.66 BCL2L1 (0.55) KMT2ANPC1GAARAB9AMLKL
SCHEMBL6720374 0.66 CA12 (0.43) MEN1KMT2ANPC1RAB9A
SCHEMBL28190494 0.66 MLKL (0.42) MEN1KMT2AKDM5AKDM4CKDM5B
SCHEMBL792136 0.64 IDO1 (0.58)
SCHEMBL4576015 0.63 MAOB (0.61) MEN1KMT2AMAOBKDM4EMAOA
SCHEMBL31195255 0.63 MAOB (0.61) MEN1KMT2AMAOBKDM4ENPC1
SCHEMBL6720550 0.62 MAOB (0.43) MEN1KMT2AMAOBKDM4EMAOA
SCHEMBL6720446 0.61 MAOB (0.51) MEN1KMT2AMAOBKDM4EMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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 (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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MEN1 4601/4885KMT2A 1477/4885KDM5A 2372/4885

“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.