SCHEMBL2624619

SCHEMBL2624619

CC#Cc1ccc2c(c1)C(=O)N(c1cccc(C#Cc3ccccc3)c1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.46
ESR1 P03372 2/20 0.46
NR1H3 Q13133 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN2A Q99250 1/20 0.40

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
SCHEMBL2631559 0.94 ESR1 (0.49) ESR1NR1H3MEN1KMT2AALDH1A1
SCHEMBL13433471 0.93 GRM5 (0.51) GRM5ESR1NR1H3MEN1KMT2A
SCHEMBL2625350 0.92 GRM5 (0.48) GRM5ESR1MEN1KMT2AALDH1A1
SCHEMBL16937189 0.90 GRM5 (0.51) GRM5ESR1NR1H3MEN1KMT2A
SCHEMBL2710552 0.90 ESR1 (0.50) ESR1NR1H3MEN1KMT2AALDH1A1
SCHEMBL2624624 0.88 ESR1 (0.43) ESR1NR1H3MEN1KMT2AALDH1A1
SCHEMBL7678431 0.87 ESR1 (0.58) GRM5ESR1NR1H3MEN1KMT2A
SCHEMBL3447114 0.86 GRM5 (0.46) GRM5ESR1NR1H3MEN1KMT2A
SCHEMBL10000450 0.86 MAPK1 (0.53) GRM5ESR1NR1H3MEN1KMT2A
SCHEMBL6910583 0.86 KMT2A (0.51) GRM5ESR1NR1H3MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303328-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2014-10-09 US disclosed
US-20140303328-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2014-10-09 US disclosed
US-8772418-B2 Cross-linker NEXAM CHEMICAL AB (SE) 2014-07-08 US disclosed
US-8772418-B2 Cross-linker NEXAM CHEMICAL AB (SE) 2014-07-08 US disclosed
EP-2630115-B1 Crosslinking monomers for aliphatic polyamides NEXAM CHEMICAL AB (SE) 2014-05-14 EP disclosed
US-20130225769-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2013-08-29 US disclosed
US-20130225769-A1 CROSS-LINKER NEXAM CHEMICAL AB (SE) 2013-08-29 US disclosed
EP-2444387-A1 Cross-linkable end-cappers for primary amino groups Nexam Chemical AB (SE) 2012-04-25 EP 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-20140303328-A1 CROSS-LINKER CAPZA2, PAPSS1, CHIA GRM5 2202/4885ESR1 3681/4885NR1H3 4827/4885

“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.