SCHEMBL12173033

SCHEMBL12173033

Cc1ccc(N(C)C(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HSD17B1 P14061 3/20 0.43
▸ HSD17B2 P37059 3/20 0.43
▸ GPBAR1 Q8TDU6 6/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL23009384 0.78 KMT2A (0.51) MEN1KMT2AGPBAR1NR1H2NR1H3
SCHEMBL12173019 0.77 HSD17B1 (0.43) MEN1KMT2ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL12173034 0.77 GPBAR1 (0.48) SMN1; SMN2HSD17B1HSD17B2GPBAR1ALDH1A1
SCHEMBL9426030 0.71 HDAC6 (0.37) MEN1KMT2AGPBAR1NR1H2NR1H3
SCHEMBL12938525 0.71 HSD17B1 (0.57) KMT2ASMN1; SMN2HSD17B1HSD17B2ALDH1A1
Toluene SCHEMBL27455697 0.71 MEN1 (0.56) MEN1KMT2ASMN1; SMN2MAPK1CYP1A2
SCHEMBL2089214 0.70 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL257815 0.70 KMT2A (0.61) MEN1KMT2ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL12173025 0.70 POLB (0.56) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
Hydrochloric Acid SCHEMBL11840917 0.69 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2HSD17B1HSD17B2

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 MEN1 2365/4885KMT2A 1142/4885SMN1; SMN2 4278/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MEN1 2365/4885KMT2A 1142/4885SMN1; 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.

Send feedback