SCHEMBL3010591

SCHEMBL3010591

CCC1(Cc2ccc(F)cc2)C(=O)N(C)/C(=C/c2c(C#N)cccc2OC)C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3010594 1.00 LMNA (0.34) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL4257346 0.94 LMNA (0.31) LMNA
SCHEMBL4257341 0.94 LMNA (0.31) LMNA
SCHEMBL3015915 0.93 PKM (0.34) LMNAALDH1A1PKMMAPTNPSR1
SCHEMBL3015918 0.93 PKM (0.34) LMNAALDH1A1PKMMAPTNPSR1
SCHEMBL3018040 0.90 LMNA (0.32) LMNA
SCHEMBL3018037 0.90 LMNA (0.32) LMNA
SCHEMBL3024910 0.89 KDM4E (0.33) LMNAALDH1A1KDM4EPKMHPGD
SCHEMBL3024912 0.89 KDM4E (0.33) LMNAALDH1A1KDM4EPKMHPGD
SCHEMBL3021667 0.88 LMNA (0.35) LMNAMEN1KMT2AALDH1A1KDM4E

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 LMNA 1633/4885MEN1 4546/4885KMT2A 3104/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885MEN1 4521/4885KMT2A 2213/4885

“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.