SCHEMBL16426276

SCHEMBL16426276

O=C(O)c1ccc(Cl)cc1C(=O)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 1/20 0.64
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ ALDH1A1 P00352 2/20 0.58
▸ GRIK1 P39086 3/20 0.57
▸ MAPT P10636 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ P2RX1 P51575 2/20 0.55
▸ GPR27 Q9NS67 4/20 0.54
▸ AVPR2 P30518 1/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ ALOX12 P18054 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX7 Q99572 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ FADS1 O60427 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
SCHEMBL12189469 0.88 GRIK1 (0.67) TMPRSS4MEN1KMT2AALDH1A1GRIK1
SCHEMBL3787204 0.88 TMPRSS4 (0.76) TMPRSS4MEN1KMT2AALDH1A1GRIK1
SCHEMBL12189613 0.86 SERPINE1 (0.65) TMPRSS4MEN1KMT2AALDH1A1GRIK1
SCHEMBL12189620 0.85 MEN1 (0.63) TMPRSS4MEN1KMT2AALDH1A1MAPT
SCHEMBL12189680 0.85 TMPRSS4 (0.56) TMPRSS4MEN1KMT2AALDH1A1GRIK1
SCHEMBL10191613 0.84 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL12189486 0.83 GPR27 (0.59) TMPRSS4MEN1KMT2AALDH1A1MAPT
SCHEMBL12189472 0.83 GRIK1 (0.68) TMPRSS4MEN1KMT2AALDH1A1GRIK1
SCHEMBL12189649 0.82 ALDH1A1 (0.85) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL12189657 0.82 TMPRSS4 (0.53) TMPRSS4MEN1KMT2AALDH1A1GRIK1

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 1 patent. 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

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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 TMPRSS4 2260/4885MEN1 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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