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SCHEMBL12416773

SCHEMBL12416773

Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 9/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PRSS1 P07477 2/20 0.45
▸ ACR P10323 2/20 0.45
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 2/20 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
SCHEMBL25500939 0.81 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1PRSS1
SCHEMBL2532329 0.78 CA1 (0.56) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL2532332 0.78 CA1 (0.56) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL25491812 0.77 KMT2A (0.67) KMT2AMEN1MAPTCYP2C9CYP2C19
SCHEMBL31550546 0.77 KMT2A (0.67) KMT2AMEN1MAPTCYP2C9CYP2C19
SCHEMBL12416770 0.76 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1CYP2C9
SCHEMBL25490692 0.76 PRSS1 (0.58) KMT2AMEN1MAPTPRSS1ACR
SCHEMBL15786632 0.75 MAPT (0.51) KMT2AMEN1MAPTALDH1A1TDP1
SCHEMBL25491838 0.74 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1PRSS1
SCHEMBL25500940 0.72 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1TDP1

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-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — 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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885MEN1 392/4885MAPT 3638/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 KMT2A 2278/4885MEN1 392/4885MAPT 3638/4885

“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.