SCHEMBL15875342

SCHEMBL15875342

O=C(O)NC(Cc1ccccc1)c1nc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PTPN1 P18031 1/20 0.51
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
FFAR1 O14842 1/20 0.48
S1PR3 Q99500 4/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
S1PR4 O95977 1/20 0.46
S1PR1 P21453 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
SCHEMBL22637884 0.89 PTPN1 (0.52) TDP1LMNATSHRPTPN1PPARD
SCHEMBL7001607 0.84 ALDH1A1 (0.57) TDP1LMNATSHRPPARDPPARA
SCHEMBL6631003 0.76 PYGL (0.61) TDP1LMNATSHRS1PR3S1PR4
SCHEMBL6630999 0.76 PYGL (0.61) TDP1LMNATSHRS1PR3S1PR4
SCHEMBL24660448 0.75 ALDH1A1 (0.59) LMNATSHRPTPN1TP53SMN1; SMN2
SCHEMBL18167908 0.75 TACR1 (0.74) LMNATSHRS1PR3TP53SMN1; SMN2
SCHEMBL20204206 0.75 TACR1 (0.74) LMNATSHRS1PR3TP53SMN1; SMN2
SCHEMBL6619964 0.75 TDP1 (0.53) TDP1LMNATSHRPPARDPPARA
SCHEMBL15875270 0.75 L3MBTL1 (0.50) TDP1LMNATSHRPTPN1FFAR1
Trifluoroacetic Acid SCHEMBL6632834 0.74 PTPN1 (0.49) TDP1PTPN1PPARDPPARAFFAR1

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-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
EP-2943487-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS Gilead Sciences, Inc. (US) 2015-11-18 EP disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
WO-2014110298-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 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 (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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD TDP1 1782/4885LMNA 3225/4885TSHR 4662/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD TDP1 1782/4885LMNA 3225/4885TSHR 4662/4885

“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.