SCHEMBL5209458

SCHEMBL5209458

COC(=O)CCc1oc(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 4/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
ADCY1 Q08828 1/20 0.41
MAPK14 Q16539 3/20 0.41
TARBP2 Q15633 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CETP P11597 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39

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
SCHEMBL5211537 0.90 RXRA (0.47) LMNAALDH1A1MAPTTARBP2KDM4E
SCHEMBL5212252 0.89 MAPT (0.47) LMNAALDH1A1TP53HSD17B10NPC1
SCHEMBL5211488 0.86 RXRA (0.50) ALDH1A1TP53HSD17B10NPC1TSHR
SCHEMBL5212455 0.86 CYP11B1 (0.43) LMNAALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL5213550 0.85 TP53 (0.44) TP53HSD17B10NPC1TSHRRAB9A
SCHEMBL5207499 0.84 CCNC (0.48) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL1362553 0.83 CYP11B1 (0.43) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10833120 0.82 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10NPC1TSHR
SCHEMBL5211259 0.81 FAAH (0.44) LMNAALDH1A1MAPTKDM4EFAAH
SCHEMBL5209323 0.81 MAPT (0.41) LMNAALDH1A1TP53HSD17B10NPC1

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 LMNA 4253/4885ALDH1A1 1651/4885TP53 4375/4885

“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.