SCHEMBL12173052

SCHEMBL12173052

CCCCOC(=O)c1ccc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ MEN1 O00255 5/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ HPGD P15428 3/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 6/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ NPC1 O15118 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TP53 P04637 2/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ POLB P06746 1/20 0.50

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
SCHEMBL12173058 0.83 HPGD (0.64) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL12173055 0.83 HPGD (0.61) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL12189542 0.82 FAAH (0.56) RECQLHTTTSHRTP53GAA
SCHEMBL12189568 0.82 FAAH (0.56) RECQLHTTTSHRTP53GAA
SCHEMBL12835024 0.82 FAAH (0.56) RECQLHTTTSHRTP53GAA
SCHEMBL10943491 0.82 HPGD (0.78) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL7114636 0.81 SMN1; SMN2 (0.69) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL12173053 0.78 KMT2A (0.78) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL12172966 0.78 LMNA (0.58) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL5336507 0.77 ESR1 (0.50) KMT2AMEN1SMN1; SMN2MAPTRAB9A

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — 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-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
US-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 — — US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 — — 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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885SMN1; SMN2 4278/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885MEN1 2365/4885SMN1; SMN2 4278/4885

“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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