SCHEMBL12190098

SCHEMBL12190098

O=C(Nc1ccc(Cc2ccccc2)cc1)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ BCL2 P10415 2/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRA P10827 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ FFAR1 O14842 1/20 0.44

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
SCHEMBL26568720 0.87 GAA (0.61) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL26066561 0.84 MEN1 (0.68) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL17115774 0.84 MEN1 (0.68) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL12190106 0.84 MEN1 (0.54) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL18273924 0.84 MEN1 (0.68) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL12190103 0.82 KMT2A (0.59) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL18330532 0.81 KMT2A (0.57) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL18273922 0.78 MEN1 (0.49) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL18273923 0.78 KMT2A (0.49) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL1281667 0.77 KMT2A (0.50) KMT2AMEN1TDP1BCL2NPC1

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-20180151805-A1 CHARGE-TRANSPORTING VARNISH, AND ORGANIC ELECTROLUMINESCENT ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-31 — — US disclosed
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 — — US disclosed
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — 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 (3 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885TDP1 2961/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885TDP1 2961/4885
US-20180151805-A1 CHARGE-TRANSPORTING VARNISH, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLCO4C1, SLCO2A1, SLCO1A2 KMT2A 657/4885MEN1 2626/4885TDP1 2731/4885

“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.

Send feedback