SCHEMBL4929466

SCHEMBL4929466

Nc1nccc(-c2ccc(C(=O)Nc3ccccc3)s2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
PPARG P37231 2/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
KDM4E B2RXH2 2/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
ESRRG P62508 1/20 0.53
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AKT3 Q9Y243 3/20 0.51
CDC7 O00311 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
TP53 P04637 3/20 0.47

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
SCHEMBL4995656 0.82 RAB9A (0.60) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL5000309 0.82 NPC1 (0.57) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4919817 0.81 AKT3 (0.57) ESRRGAKT3CDC7HDAC3HDAC4
SCHEMBL4924499 0.81 HDAC3 (0.57) KDM4EMAPTMEN1KMT2AAKT3
SCHEMBL4929904 0.81 HDAC3 (0.57) KDM4EMAPTMEN1KMT2AAKT3
SCHEMBL4923314 0.81 KDM4E (0.55) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL4928004 0.80 AKT3 (0.73) RAB9AAKT3HDAC3HDAC4HDAC1
SCHEMBL4931586 0.80 AKT3 (0.47) NPC1RAB9AKDM4EAKT3CDC7
SCHEMBL5000595 0.79 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL5005761 0.79 AKT1 (0.51) AKT3CDC7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN NPC1 204/4885RAB9A 1684/4885PPARG 318/4885

“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.