SCHEMBL4744604

SCHEMBL4744604

COCCN(CCOC)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.51
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
TAS2R14 Q9NYV8 7/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
ALDH2 P05091 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGES O14684 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
CXCR3 P49682 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
Hydrochloric Acid SCHEMBL4802230 0.98 MEP1B (0.50) MEP1BALDH1A1HDAC6HDAC1TAS2R14
SCHEMBL4741255 0.85 LOXL2 (0.53) ALDH1A1HDAC6HDAC1MEN1KMT2A
SCHEMBL13912776 0.82 MEN1 (0.65) MEP1BHDAC6HDAC1TAS2R14MEN1
SCHEMBL1636569 0.81 HRH3 (0.60) MEP1BALDH1A1HDAC6TAS2R14MEN1
Trifluoroacetic Acid SCHEMBL3121496 0.80 MEN1 (0.45) ALDH1A1TAS2R14MEN1KMT2APOLB
SCHEMBL3746659 0.79 MEN1 (0.50) ALDH1A1HDAC6HDAC1MEN1KMT2A
SCHEMBL5636987 0.79 MEP1B (0.57) MEP1BALDH1A1HDAC6HDAC1TAS2R14
SCHEMBL7470522 0.79 MEP1B (0.57) MEP1BALDH1A1HDAC6TAS2R14MEN1
SCHEMBL8281042 0.78 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18712255 0.78 SMN1; SMN2 (0.46) SMN1; SMN2PTGES

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 2330/4885ALDH1A1 423/4885HDAC6 1192/4885

“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.