Sugi Predict

Sugi Predict / Compounds / SCHEMBL4926248

SCHEMBL4926248

SCHEMBL4926248

O=S(=O)(c1ccc(CNCc2ccccc2)cc1)N(Cc1nc2ccccc2[nH]1)c1cccc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CXCR4 P61073 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL4921023 0.93 CXCR4 (0.50) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL4921020 0.83 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL14025565 0.78 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4916980 0.78 KMT2A (0.53) SMN1; SMN2CXCR4ALDH1A1NPSR1MEN1
SCHEMBL4913474 0.78 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL4786868 0.76 CXCR4 (0.54) CXCR4ALDH1A1MEN1LMNAKMT2A
SCHEMBL14025428 0.73 ITGB3 (0.45) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL14025551 0.72 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL14068394 0.72 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1HPGDGAA
SCHEMBL14025576 0.71 ITGB3 (0.51) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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 SMN1; SMN2 3131/4885NPC1 407/4885RAB9A 1997/4885

“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.