SCHEMBL4922883

SCHEMBL4922883

CC(C)(C)OC(=O)NCc1ccc(NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.63
NPC1 O15118 6/20 0.59
RAB9A P51151 5/20 0.59
MEN1 O00255 1/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTPN1 P18031 1/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.56
MAOB P27338 1/20 0.56
CA2 P00918 2/20 0.54
ROCK2 O75116 2/20 0.54
RORC P51449 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
ROCK1 Q13464 1/20 0.54
GHSR Q92847 1/20 0.54

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
SCHEMBL3462483 0.93 NPC1 (0.60) NAMPTNPC1RAB9AMEN1TP53
SCHEMBL3838871 0.87 CA12 (0.63) NAMPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL15344407 0.87 NAMPT (0.60) NAMPTNPC1HDAC1
SCHEMBL25920561 0.86 NAMPT (0.59) NAMPTMEN1KMT2APTPN1MAPT
SCHEMBL8258345 0.86 NAMPT (0.59) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28731111 0.86 NAMPT (0.59) NAMPTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3940116 0.86 NAMPT (0.60) NAMPTMEN1TP53KMT2ASMN1; SMN2
SCHEMBL1258475 0.85 NAMPT (0.62) NAMPTRAB9AMEN1HPGDKMT2A
SCHEMBL26130392 0.85 POLB (0.57) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL24140328 0.84 NAMPT (0.61) NAMPTNPC1RAB9AMEN1TP53

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 NAMPT 513/4885NPC1 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.