SCHEMBL5209815

SCHEMBL5209815

Cn1cc(-c2nc(-c3ccc(Cl)cc3)c(CCC(=O)N3CCC(O)CC3)o2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5207438 0.89 MAPT (0.40) TACR1MAPTLMNAMAPK1HTT
SCHEMBL5214208 0.88 TACR1 (0.46) TACR1MAPTLMNAMAPK1HTT
SCHEMBL5215239 0.85 HTR2C (0.44) TACR1MAPTTNKSPARP1PARP2
SCHEMBL5210928 0.84 RXRA (0.46) ALDH1A1KDM4ENPC1RAB9ACYP1A2
SCHEMBL5211801 0.83 TACR1 (0.43) TACR1MAPTTNKSPARP1PARP2
SCHEMBL5214817 0.82 KDM4E (0.40) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL5211972 0.80 TNKS (0.42) TACR1KDM4EHSD17B10TNKSPARP1
SCHEMBL5215135 0.78 POLB (0.44) TACR1MAPTLMNAHTTALDH1A1
SCHEMBL5206601 0.78 POLB (0.39) TACR1MAPTLMNAHTTALDH1A1
SCHEMBL5212083 0.78 QPCT (0.44) MAPTLMNAMAPK1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 TACR1 2372/4885MAPT 3958/4885LMNA 4253/4885

“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.