SCHEMBL4310318

SCHEMBL4310318

NC(=O)OC(Cn1cnnn1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.40
AVPR1A P37288 3/20 0.40
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HMOX1 P09601 1/20 0.37
POLB P06746 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL13667364 1.00 AVPR2 (0.40) AVPR2AVPR1AMEN1KMT2AALDH1A1
SCHEMBL13667365 1.00 AVPR2 (0.40) AVPR2AVPR1AMEN1KMT2AALDH1A1
SCHEMBL13667447 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL13667446 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4313100 0.86 CYP2C9 (0.38) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4313237 0.86 MAPK1 (0.39) AVPR2AVPR1AMEN1KMT2AALDH1A1
SCHEMBL4306643 0.85 ALDH1A1 (0.44) AVPR2AVPR1AALDH1A1HMOX1POLB
SCHEMBL4310536 0.83 CYP19A1 (0.47)
SCHEMBL13667370 0.83 CYP19A1 (0.47)
SCHEMBL13667368 0.83 CYP19A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 AVPR2 3542/4885AVPR1A 3175/4885MEN1 1549/4885

“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.