SCHEMBL14025565

SCHEMBL14025565

O=S(=O)(c1cccc(CNCc2ccccc2)c1)N(Cc1ccccc1)c1cccc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLO1 Q04760 3/20 0.41
G6PD P11413 1/20 0.41
NFKBIA P25963 1/20 0.41
AGTR1 P30556 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14025551 0.93 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL14025595 0.79 NR1H2 (0.48) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4926248 0.78 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL14068394 0.77 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL14025639 0.72 TAS2R14 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL4924534 0.72 KMT2A (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL4921023 0.72 CXCR4 (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14025560 0.71 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL14025638 0.71 PDE4A (0.58) ALDH1A1KDM4EKMT2ALMNA
SCHEMBL14025548 0.70 PKM (0.53) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1

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 3 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
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 423/4885HPGD 873/4885SMN1; SMN2 3131/4885

“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.