SCHEMBL17038677

SCHEMBL17038677

NNC(=O)c1nc(-c2ccc(OCF)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
SMPD1 P17405 7/20 0.56
SCN10A Q9Y5Y9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
S1PR1 P21453 1/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
ACACB O00763 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL25003157 0.85 GAA (0.69) GAAKDM4ESMPD1SMN1; SMN2S1PR1
SCHEMBL15498668 0.83 SCN10A (0.67) GAAKDM4ESMPD1SCN10ASMN1; SMN2
SCHEMBL14634348 0.82 GAA (0.68) GAAKDM4ESMPD1SMN1; SMN2KMT2A
SCHEMBL2563085 0.79 GAA (0.68) GAAKDM4ESMPD1LMNAMAPT
SCHEMBL6578735 0.73 CA1 (0.61) KDM4ELMNAMAPT
SCHEMBL15491666 0.72 SMPD1 (0.48) SMPD1SCN10AKMT2ALMNAACACB
SCHEMBL19380008 0.72 KDM4E (0.52) GAAKDM4ELMNAMAPTTP53
SCHEMBL29151796 0.72 SMPD1 (1.00) SMPD1KMT2APPARDPPARA
SCHEMBL3418996 0.70 GAA (0.57) GAAKDM4ESMN1; SMN2LMNAPPARA
SCHEMBL15489362 0.70 SCN10A (0.70) GAAKDM4ESMPD1SCN10ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663504-B2 Salts of heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-05-30 US disclosed
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2017-05-04 US disclosed
US-20150239876-A1 SALTS OF HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-27 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 (2 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-20150239876-A1 SALTS OF HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, VHL, HIF1A GAA 227/4885KDM4E 1934/4885SMPD1 2121/4885
US-20170121342-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 GAA 341/4885KDM4E 1408/4885SMPD1 1733/4885

“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.