SCHEMBL4743378

SCHEMBL4743378

O=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 3/20 0.61
TAS2R14 Q9NYV8 8/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PTPN1 P18031 1/20 0.55
CXCR3 P49682 1/20 0.54
DAO P14920 1/20 0.52
TSHR P16473 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SRD5A2 P31213 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
PTGES O14684 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
SCHEMBL11809995 1.00 MEP1B (0.61) MEP1BTAS2R14MEN1KMT2APTPN1
Hydrochloric Acid SCHEMBL16699939 0.98 MEP1B (0.59) MEP1BTAS2R14MEN1KMT2APTPN1
SCHEMBL21940191 0.94 SRD5A2 (0.61) MEP1BTAS2R14MEN1KMT2APTPN1
Benzoic Acid SCHEMBL31121247 0.94 DAO (0.61) MEP1BTAS2R14MEN1KMT2APTPN1
SCHEMBL16706846 0.91 LMNA (0.62) MEP1BTAS2R14MEN1KMT2APTPN1
SCHEMBL15392066 0.91 TAS2R14 (0.67) MEP1BTAS2R14MEN1KMT2ANR4A2
SCHEMBL16700016 0.89 TAS2R14 (0.58) MEP1BTAS2R14MEN1KMT2APTPN1
4-Methylbenzoic Acid SCHEMBL31121241 0.89 TAS2R14 (0.64) MEP1BTAS2R14MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL16700722 0.88 TAS2R14 (0.56) MEP1BTAS2R14MEN1KMT2APTPN1
Hydrochloric Acid SCHEMBL16700720 0.88 TAS2R14 (0.56) MEP1BTAS2R14MEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A MEP1B 2330/4885TAS2R14 4808/4885MEN1 173/4885

“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.