SCHEMBL2292203

SCHEMBL2292203

Cc1cc(C)nc(Cc2ccc(F)cc2N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM5 P41594 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC2 Q92769 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MPO P05164 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2286222 0.87 SLC6A3 (0.39) HTTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2292257 0.80 NR4A2 (0.46) HTTALDH1A1SMN1; SMN2CYP3A4TDP1
SCHEMBL2290194 0.72 HTR6 (0.39) HTTSLC6A2TDP1GRM5ADORA2A
SCHEMBL8209451 0.72 ALDH1A1 (0.46) HTTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8217107 0.71 MPO (0.44) ALDH1A1CYP3A4TDP1MPO
Ammonia Solution, Strong SCHEMBL6386960 0.70 ALDH1A1 (0.44) HTTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL865700 0.69 ALDH1A1 (0.48) HTTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL2289041 0.69 HSP90AA1 (0.39) HTTSLC6A3ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL14254190 0.68 ALOX5 (0.47) SLC6A2SLC6A4ALDH1A1SMN1; SMN2HDAC2
SCHEMBL1398079 0.68 ALDH1A1 (0.46) HTTSLC6A2SLC6A4SLC6A3ALDH1A1

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
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 HTT 1936/4885SLC6A2 4395/4885SLC6A4 3177/4885

“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.