SCHEMBL3023708

SCHEMBL3023708

CCC1(Cc2ccccc2)C(=O)N(C)/C(=C\c2ccccc2C#N)C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
HDAC1 Q13547 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
PIM1 P11309 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
SCHEMBL3023709 1.00 ELANE (0.34) ELANEHDAC1HPGDKDM4ETSHR
SCHEMBL2792341 0.95 HDAC1 (0.35) ELANEHDAC1HPGDKDM4ETSHR
SCHEMBL3017407 0.92 LMNA (0.40) HDAC1KDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL3017409 0.92 LMNA (0.40) HDAC1KDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL3792110 0.91 HDAC1 (0.33) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3792115 0.91 HDAC1 (0.33) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL2794731 0.89 KDM4E (0.32) HDAC1HPGDKDM4ETSHRHSD17B10
SCHEMBL3796312 0.88 ELANE (0.31) ELANE
SCHEMBL3796313 0.88 ELANE (0.31) ELANE
SCHEMBL3025263 0.86 ELANE (0.32) ELANEHPGDKDM4ETSHRHSD17B10

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 ELANE 3135/4885HDAC1 937/4885HPGD 1222/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ELANE 4638/4885HDAC1 3695/4885HPGD 944/4885

“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.