SCHEMBL3017407

SCHEMBL3017407

CCC1(Cc2ccc(F)cc2)C(=O)N(C)/C(=C/c2ccccc2C#N)C(=O)N1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.32
METAP2 P50579 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PGR P06401 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
SCHEMBL3017409 1.00 LMNA (0.40) LMNANPSR1HDAC1METAP2KDM4E
SCHEMBL3023708 0.92 ELANE (0.34) LMNANPSR1HDAC1KDM4EALDH1A1
SCHEMBL3023709 0.92 ELANE (0.34) LMNANPSR1HDAC1KDM4EALDH1A1
SCHEMBL3791036 0.88 LMNA (0.34) LMNANPSR1
SCHEMBL3791035 0.88 LMNA (0.34) LMNANPSR1
SCHEMBL3026279 0.87 LMNA (0.42) LMNANPSR1HDAC1METAP2KDM4E
SCHEMBL3026281 0.87 LMNA (0.42) LMNANPSR1HDAC1METAP2KDM4E
SCHEMBL3018037 0.87 LMNA (0.32) LMNA
SCHEMBL3018040 0.87 LMNA (0.32) LMNA
SCHEMBL2792341 0.87 HDAC1 (0.35) LMNANPSR1HDAC1KDM4EALDH1A1

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 1633/4885NPSR1 336/4885HDAC1 937/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR LMNA 3263/4885NPSR1 2441/4885HDAC1 3695/4885

“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.