SCHEMBL4913474

SCHEMBL4913474

O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccc1)Cc1nc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 7/20 0.46
TAS2R14 Q9NYV8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 3/20 0.44
CXCR3 P49682 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
SCHEMBL4786868 0.91 CXCR4 (0.54) ALDH1A1LMNATSHRPOLBMEN1
SCHEMBL4916980 0.89 KMT2A (0.53) ALDH1A1LMNATSHRPOLBSMN1; SMN2
SCHEMBL14025440 0.88 ALDH1A1 (0.56) ALDH1A1LMNATSHRPOLBGAA
SCHEMBL4922448 0.87 ALDH1A1 (0.55) ALDH1A1LMNATSHRPOLBGAA
SCHEMBL4741416 0.82 TAS2R14 (0.62) CNR2TAS2R14MEN1KMT2ACNR1
SCHEMBL14025428 0.81 ITGB3 (0.45) ALDH1A1LMNATSHRGAASMN1; SMN2
SCHEMBL14025426 0.81 ALDH1A1 (0.46) ALDH1A1LMNATSHRPOLBSMN1; SMN2
SCHEMBL14025451 0.81 BACE1 (0.51) ALDH1A1TSHRPOLBGAASMN1; SMN2
SCHEMBL4787606 0.79 SMN1; SMN2 (0.72) ALDH1A1LMNAGAASMN1; SMN2HSD17B10
SCHEMBL4926248 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNAPOLBGAASMN1; SMN2

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 4 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

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 ALDH1A1 423/4885LMNA 2811/4885TSHR 4663/4885

“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.