SCHEMBL19994239

SCHEMBL19994239

CC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HPGD P15428 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LMNA P02545 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
LIPE Q05469 1/20 0.38
PNLIP P16233 1/20 0.38

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
SCHEMBL3564476 0.85 P2RX3 (0.58) P2RX3MAOBKMT2AMEN1EGLN1
SCHEMBL18529453 0.82 LIPE (0.44) MAOAMAOBKMT2AMEN1MAPT
SCHEMBL20006725 0.82 ALDH1A1 (0.45) P2RX3KMT2AMEN1EGLN1MAPT
SCHEMBL19994245 0.80 PKM (0.43) P2RX3KMT2AMEN1EGLN1MAPT
SCHEMBL16025487 0.78 POLB (0.51) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL19808909 0.76 TUBB4A (0.51) P2RX3EGLN1L3MBTL1LMNA
SCHEMBL28865211 0.74 MCL1 (0.47) P2RX3KMT2AMEN1EGLN1LMNA
SCHEMBL19808853 0.74 P2RX3 (0.48) P2RX3KMT2AMEN1EGLN1MAPT
SCHEMBL19808901 0.74 P2RX3 (0.48) P2RX3KMT2AMEN1EGLN1MAPT
SCHEMBL19994248 0.73 LMNA (0.48) P2RX3MAPTHTTLMNA

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-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-19 US disclosed
US-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-19 US disclosed
EP-3515906-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
WO-2018054829-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed
WO-2018054829-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 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-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES CBR3, TH, PADI1 P2RX3 876/4885MAOA 1056/4885MAOB 751/4885

“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.