SCHEMBL3015915

SCHEMBL3015915

CCC1(Cc2ccccc2)C(=O)N(C)/C(=C\c2c(C#N)cccc2OC)C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
PIM1 P11309 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 4/20 0.32
ESRRA P11474 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP11B2 P19099 1/20 0.31
GNRHR P30968 1/20 0.31
HSD11B1 P28845 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ELANE P08246 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
SCHEMBL3015918 1.00 PKM (0.34) PKMPIM1TSHRNPSR1ALDH1A1
SCHEMBL3010591 0.93 LMNA (0.34) PKMNPSR1ALDH1A1LMNAMAPT
SCHEMBL3010594 0.93 LMNA (0.34) PKMNPSR1ALDH1A1LMNAMAPT
SCHEMBL3025263 0.88 ELANE (0.32) TSHRALDH1A1MAPTELANE
SCHEMBL3029253 0.88 PKM (0.36) PKMPIM1TSHRNPSR1ALDH1A1
SCHEMBL3029255 0.88 PKM (0.36) PKMPIM1TSHRNPSR1ALDH1A1
SCHEMBL3025266 0.88 ELANE (0.32) TSHRALDH1A1MAPTELANE
SCHEMBL4257341 0.87 LMNA (0.31) LMNA
SCHEMBL4257346 0.87 LMNA (0.31) LMNA
SCHEMBL3028114 0.87 ELANE (0.31) TSHRELANE

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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 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 (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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 PKM 4684/4885PIM1 3956/4885TSHR 846/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR PKM 497/4885PIM1 3772/4885TSHR 1271/4885

“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.