SCHEMBL12189613

SCHEMBL12189613

O=C(c1ccccc1)c1ccc(NC(=O)c2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ FFAR1 O14842 1/20 0.57
▸ TMPRSS4 Q9NRS4 1/20 0.57
▸ GFER P55789 1/20 0.56
▸ MAPT P10636 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ NR4A1 P22736 1/20 0.53
▸ P2RX1 P51575 1/20 0.52
▸ SMO Q99835 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ GRIK1 P39086 1/20 0.51

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
SCHEMBL5341743 0.87 HDAC8 (0.62) SERPINE1MEN1KMT2ARAB9ANPC1
SCHEMBL13812568 0.86 TMPRSS4 (0.78) SERPINE1MEN1KMT2ARAB9ANPC1
SCHEMBL16426276 0.86 TMPRSS4 (0.64) MEN1KMT2ARAB9ANPC1TMPRSS4
SCHEMBL12189648 0.86 RAB9A (0.61) SERPINE1MEN1KMT2ARAB9ANPC1
SCHEMBL12189469 0.86 GRIK1 (0.67) SERPINE1MEN1KMT2ARAB9ANPC1
SCHEMBL12189604 0.84 GFER (0.75) MEN1KMT2ARAB9ANPC1FFAR1
SCHEMBL12189680 0.82 TMPRSS4 (0.56) MEN1KMT2ARAB9ATMPRSS4MAPT
SCHEMBL8770858 0.82 FFAR1 (0.58) MEN1KMT2ARAB9ANPC1FFAR1
SCHEMBL3787204 0.82 TMPRSS4 (0.76) MEN1KMT2ARAB9ANPC1TMPRSS4
SCHEMBL12189486 0.81 GPR27 (0.59) MEN1KMT2ATMPRSS4MAPTALDH1A1

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 — — 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 SERPINE1 1737/4885MEN1 2365/4885KMT2A 1142/4885
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 SERPINE1 1737/4885MEN1 2365/4885KMT2A 1142/4885

“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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