SCHEMBL3606443

SCHEMBL3606443

Nc1ccccc1Nc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.45
SOS1 Q07889 1/20 0.45
TP53 P04637 1/20 0.44

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 1.00 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL4058240 0.85 MAPT (0.47) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL4058691 0.82 GAA (0.46) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL1681702 0.82 MAP2K1 (0.45) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL3610761 0.82 MAPT (0.56) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL29581083 0.82 MAPK13 (0.54) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL4944382 0.82 MAPK13 (0.54) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL3607119 0.82 MAPT (0.56) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL29414658 0.82 MAPT (0.56) ALDH1A1GAASMN1; SMN2KDM4ERAB9A
SCHEMBL11901667 0.81 CCNC (0.50) ALDH1A1GAASMN1; SMN2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed
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
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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 (3 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 538/4885GAA 462/4885SMN1; SMN2 222/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 687/4885GAA 525/4885SMN1; SMN2 356/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 ALDH1A1 538/4885GAA 462/4885SMN1; SMN2 222/4885

“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.