SCHEMBL21344667

SCHEMBL21344667

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)Nc4cccnc4)CC3)CC2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 6/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
GRIN2B Q13224 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 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
SCHEMBL21344277 0.86 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL22992194 0.85 TRPV1 (0.36) SMN1; SMN2HIF1A
SCHEMBL21344669 0.85 CHRM2 (0.45) MAPK1
SCHEMBL22992106 0.83 FAAH (0.38) FAAHCYP3A4TSHRCYP2D6
SCHEMBL21344251 0.83 ALDH1A1 (0.45)
SCHEMBL22992095 0.81 PIK3CA (0.34) HIF1ACYP2D6
SCHEMBL22992179 0.81 CYP3A4 (0.39) SMN1; SMN2CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL21344679 0.80 NAMPT (0.42) TSHRCYP2D6
SCHEMBL22992155 0.80 CYP3A4 (0.44) SMN1; SMN2CYP3A4TSHRHIF1ACYP1A2
SCHEMBL21343728 0.80 CYP3A4 (0.31) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 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 (2 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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 SMN1; SMN2 4727/4885FAAH 750/4885CYP3A4 245/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 SMN1; SMN2 4727/4885FAAH 750/4885CYP3A4 245/4885

“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.