SCHEMBL5214817

SCHEMBL5214817

COC(=O)CCc1oc(-c2cn(C)c3ccccc23)nc1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 4/20 0.38
MGAM O43451 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL5210928 0.90 RXRA (0.46) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5209850 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5207438 0.82 MAPT (0.40) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5209815 0.82 TACR1 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5211537 0.81 RXRA (0.47) KDM4EALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL5212387 0.80 KDM4E (0.38) KDM4EALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL5211691 0.79 RXRA (0.43) KDM4EALDH1A1CYP1A2CYP3A4KMT2A
SCHEMBL5214208 0.78 TACR1 (0.46) KDM4EALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL5208493 0.78 POLB (0.40) POLBMAPTTP53
SCHEMBL5207499 0.77 CCNC (0.48) KDM4EALDH1A1CYP1A2CYP3A4KMT2A

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 KDM4E 2428/4885ALDH1A1 1651/4885HPGD 958/4885

“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.