SCHEMBL2290422

SCHEMBL2290422

COc1nc(OC)nc(C(C)c2cccc(F)c2N)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
MCHR1 Q99705 2/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL2283874 0.85 NPC1 (0.33) NPC1RAB9ACYP1A2RPS6KA2LMNA
SCHEMBL2288811 0.84 NPC1 (0.35) NPC1RAB9ACYP1A2RPS6KA2ALDH1A1
SCHEMBL3741461 0.84 NPC1 (0.35) NPC1RAB9ACYP1A2RPS6KA2LMNA
SCHEMBL2292231 0.84 NPC1 (0.33) NPC1RAB9ACYP1A2RPS6KA2LMNA
SCHEMBL2287144 0.82 CYP1A2 (0.37) CYP1A2ALDH1A1SMN1; SMN2DRD2HTR7
SCHEMBL2287644 0.82 NPC1 (0.32) NPC1RAB9ACYP1A2
SCHEMBL5501924 0.81 NPC1 (0.31) NPC1RAB9ACYP1A2
SCHEMBL2285482 0.80 ADORA1 (0.31) SMN1; SMN2HTR1ADRD2HTR2AHTR7
SCHEMBL5498822 0.80 NPC1 (0.30) NPC1RAB9ACYP1A2
SCHEMBL2289428 0.79 KMT2A (0.35) NPC1RAB9ACYP1A2ALDH1A1SMN1; SMN2

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 3 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

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 NPC1 3382/4885RAB9A 2545/4885CYP1A2 41/4885

“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.