SCHEMBL12190104

SCHEMBL12190104

O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.58
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ PLAU P00749 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPSE Q9Y251 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49

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 0.84 GAA (0.61) KDM4ERAB9ANPC1LMNAHPGD
SCHEMBL18330528 0.83 TLR8 (0.53) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL12190092 0.82 L3MBTL1 (0.71) RAB9AMAPTLMNAMAPK1ALDH1A1
SCHEMBL23309585 0.81 KDM4E (0.52) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL26066561 0.79 MEN1 (0.68) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL18273924 0.79 MEN1 (0.68) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL17115774 0.79 MEN1 (0.68) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL18027621 0.78 NPC1 (0.71) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL20059868 0.77 BRAF (0.50) KDM4ERAB9ANPC1MAPTLMNA
SCHEMBL22543145 0.77 NR1H4 (0.78) RAB9ANPC1MAPTLMNAHPGD

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-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 (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 KDM4E 796/4885RAB9A 3788/4885NPC1 2813/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KDM4E 796/4885RAB9A 3788/4885NPC1 2813/4885

“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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