SCHEMBL12189455

SCHEMBL12189455

CCCCCCCCOc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.48
▸ PTPN1 P18031 3/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CXCR1 P25024 4/20 0.45
▸ CXCR2 P25025 4/20 0.45
▸ NR1H4 Q96RI1 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FAAH O00519 2/20 0.40

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
SCHEMBL12189636 0.84 MEN1 (0.45) DGAT1PTPN1MEN1POLBKMT2A
SCHEMBL12173151 0.84 CXCR1 (0.47) DGAT1MEN1KMT2ACXCR1CXCR2
SCHEMBL12189646 0.84 PTPN1 (0.51) DGAT1PTPN1MEN1POLBKMT2A
SCHEMBL12835495 0.84 FAAH (0.56) NR1H4FAAH
SCHEMBL12189571 0.84 FAAH (0.56) NR1H4FAAH
SCHEMBL12189643 0.84 FAAH (0.56) NR1H4FAAH
SCHEMBL12189418 0.81 SMN1; SMN2 (0.58) PTPN1MEN1POLBKMT2ANR1H4
SCHEMBL12189460 0.80 PKM (0.57) DGAT1PTPN1MEN1POLBKMT2A
SCHEMBL12173098 0.80 CXCR2 (0.54) MEN1POLBKMT2ACXCR1CXCR2
SCHEMBL12173065 0.76 KCNQ3 (0.59) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 DGAT1 2262/4885PTPN1 1324/4885MEN1 2365/4885

“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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