SCHEMBL3022403

SCHEMBL3022403

COc1cccc(C#N)c1/C=C1\C(=O)N(C)C(Cc2ccc(F)cc2)C(=O)N1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR2 O43614 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
EGFR P00533 1/20 0.33
HCRTR1 O43613 1/20 0.32
ACHE P22303 2/20 0.32
CAPN1 P07384 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNJ1 P48048 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
GNRHR P30968 1/20 0.31
HTR2C P28335 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3022405 1.00 LMNA (0.35) LMNAMEN1KMT2AHCRTR2ALDH1A1
SCHEMBL3026763 0.92 ACHE (0.36) MEN1KMT2AALDH1A1PKMACHE
SCHEMBL3026764 0.92 ACHE (0.36) MEN1KMT2AALDH1A1PKMACHE
SCHEMBL3026418 0.89 CAPN1 (0.33) LMNAMEN1KMT2ACAPN1
SCHEMBL3026414 0.89 CAPN1 (0.33) LMNAMEN1KMT2ACAPN1
SCHEMBL3026151 0.86 LMNA (0.35) LMNACAPN1NPSR1
SCHEMBL3026154 0.86 LMNA (0.35) LMNACAPN1NPSR1
SCHEMBL3031099 0.83 CAPN1 (0.33) LMNAMEN1KMT2ACAPN1
SCHEMBL3031096 0.83 CAPN1 (0.33) LMNAMEN1KMT2ACAPN1
SCHEMBL3123810 0.83 LMNA (0.42) 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 2 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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 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 (1 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-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.