SCHEMBL11348757

SCHEMBL11348757

CC(C)(C)C(=O)Cc1cccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 3/20 0.38
FAAH O00519 1/20 0.38
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3110927 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL20565261 0.80 POLB (0.47) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL29431315 0.79 CYP1A2 (0.62) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL950737 0.79 CYP1A2 (0.62) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL2178576 0.77 SMN1; SMN2 (0.47) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL4126633 0.77 P2RX7 (0.45) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL16540510 0.77 P2RX7 (0.51) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL18751691 0.76 HSD11B1 (0.47) SMN1; SMN2POLBHTTALDH1A1RAB9A
SCHEMBL11348793 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNAP2RX7CASP3SENP8
SCHEMBL8446184 0.75 ALDH1A1 (0.50) MAPTNPC1ALDH1A1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984082-B1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2017-08-02 EP disclosed
EP-2984082-B1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2017-08-02 EP disclosed
US-9668481-B2 Triazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-9668481-B2 Triazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-9668481-B2 Triazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-20160050928-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2984082-A1 NOVEL TRIAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-02-17 EP disclosed
WO-2014167010-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-16 WO disclosed
WO-2014167010-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-16 WO disclosed
EP-0002678-B1 AZOLYLALKYL-PYRIDINYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-12-30 EP 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-20160050928-A1 NOVEL TRIAZOLE DERIVATIVES ERG28, CYP51A1, SBK3 SMN1; SMN2 4875/4885LMNA 4316/4885P2RX7 2953/4885

“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.