SCHEMBL6832170

SCHEMBL6832170

CC1NC(=O)C(c2ccc(C#N)cc2Cl)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.36
GAA P10253 1/20 0.36
CYP11B2 P19099 3/20 0.36
VCAM1 P19320 1/20 0.34
ABCB1 P08183 1/20 0.34
AR P10275 3/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
ESRRA P11474 1/20 0.33
P2RX7 Q99572 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6589363 0.74 AR (0.37) ELANECYP11B2VCAM1ABCB1AR
SCHEMBL4433341 0.68 GAA (0.40) GAASLC6A4
SCHEMBL11225364 0.66 CYP11B2 (0.40) ELANECYP11B2VCAM1CHRNA1CHRNG
SCHEMBL11825218 0.65 TP53 (0.54) ELANEGAACYP11B2VCAM1AR
SCHEMBL171602 0.64 AR (0.54) CYP11B2VCAM1ARP2RX7SLC6A4
SCHEMBL30924148 0.64 AR (0.54) CYP11B2VCAM1ARP2RX7SLC6A4
SCHEMBL9380440 0.64 KDM4E (0.45) ABCB1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL12424482 0.63 TSHR (0.56)
SCHEMBL8712306 0.62 ALDH1A1 (0.41)
SCHEMBL11676061 0.62 CYP11B2 (0.50) CYP11B2CHRNA1CHRNGCHRNB1CHRNB2

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-6746990-B2 INSECTICIDES, ACARICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030045432-A1 Phenyl-substituted cyclic ketoenols FISCHER REINER (DE) 2003-03-06 US disclosed
US-6358887-B1 PREEMERGENCE, POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-19 US disclosed
EP-0809629-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-12-03 EP disclosed
WO-1996025395-A1 2-PHENYL-SUBSTITUTED HETEROCYCLIC 1,3-KETONOLS AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20030045432-A1 Phenyl-substituted cyclic ketoenols CYP19A1, DDT, CYP8B1 ELANE 2653/4885GAA 687/4885CYP11B2 28/4885

“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.