SCHEMBL5208646

SCHEMBL5208646

CCCc1nc(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)CC2)o1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CACNA1G O43497 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR1 P25103 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL5215135 0.87 POLB (0.44) POLBNPC1RAB9AMAPTLMNA
SCHEMBL5211815 0.86 POLB (0.47) POLBCACNA1GNPC1RAB9ARXRA
SCHEMBL5213964 0.85 KMT2A (0.44) POLBNPC1RAB9ARXRARXRB
SCHEMBL5209112 0.85 POLB (0.40) POLBNPC1RAB9AMAPTLMNA
SCHEMBL5212688 0.84 TACR1 (0.50) POLBCACNA1GMAPTTACR1ALDH1A1
Hydrochloric Acid SCHEMBL5209960 0.83 TACR1 (0.49) POLBCACNA1GMAPTTACR1ALDH1A1
SCHEMBL5206601 0.80 POLB (0.39) POLBNPC1RAB9ARXRARXRB
SCHEMBL5211325 0.80 MEN1 (0.42) POLBNPC1RAB9AMAPTLMNA
SCHEMBL5212038 0.79 RXRA (0.60) CACNA1GRXRARXRBRXRGMAPT
SCHEMBL5212167 0.79 POLB (0.38) POLBNPC1RAB9AMAPTLMNA

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 POLB 3507/4885CACNA1G 3220/4885NPC1 3792/4885

“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.