SCHEMBL3607221

SCHEMBL3607221

Nc1cccc(F)c1Nc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SOS1 Q07889 1/20 0.43
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 3/20 0.40
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTT P42858 1/20 0.37
MAP2K1 Q02750 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL29581577 0.79 ALDH1A1 (0.47) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL3606443 0.79 ALDH1A1 (0.47) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL3613999 0.77 SOS1 (0.44) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL3602490 0.73 ATM (0.51) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL11842891 0.72 ALDH1A1 (0.49) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL21468597 0.72 SOS1 (0.53) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL4064030 0.72 GAA (0.52) ALDH1A1GAASMN1; SMN2RAB9AKDM4E
SCHEMBL4945534 0.71 MAPT (0.50) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL20155591 0.70 SOS1 (0.44) ALDH1A1SOS1GAASMN1; SMN2NPC1
SCHEMBL3612446 0.69 GAA (0.49) ALDH1A1GAASMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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 (2 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 538/4885SOS1 711/4885GAA 462/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 538/4885SOS1 711/4885GAA 462/4885

“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.