SCHEMBL16061195

SCHEMBL16061195

O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.52
▸ SCD O00767 7/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ LMNA P02545 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GPER1 Q99527 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TP53 P04637 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL16085608 0.79 ABL1 (0.56) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16062238 0.78 LMNA (0.60) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085380 0.78 RAB9A (0.74) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085438 0.78 LMNA (0.53) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085539 0.78 LMNA (0.57) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085429 0.77 LMNA (0.56) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085583 0.76 ABL1 (0.50) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085595 0.76 ABL1 (0.50) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085404 0.75 KMT2A (0.74) ABL1SCDMEN1KMT2ALMNA
SCHEMBL16085570 0.75 ABL1 (0.59) ABL1SCDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 — — US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 — — WO disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 — — WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 — — WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 — — 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 (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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 ABL1 1848/4885SCD 2185/4885MEN1 4052/4885

“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.

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