SCHEMBL8250413

SCHEMBL8250413

c1ccc(-n2cccc2C2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SLC18A3 Q16572 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8144039 0.90 ATM (0.42) TSHRKDM4EATMLMNAALDH1A1
SCHEMBL7214809 0.78 CA1 (0.51) KDM4ELMNAALDH1A1
SCHEMBL12534007 0.76 ATM (0.38) TSHRKDM4EATMALDH1A1PKM
SCHEMBL28151532 0.72 NPC1 (0.45) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11264432 0.70 ICMT (0.45) TSHRKDM4EATMLMNAALDH1A1
SCHEMBL289929 0.70 KDM4E (0.42) TSHRKDM4EATMLMNAALDH1A1
SCHEMBL19514190 0.70 NPC1 (0.42) TSHRKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL22939895 0.69 SLC18A3 (0.42) KDM4EALDH1A1SLC18A3CYP2C19
SCHEMBL22939896 0.69 SLC18A3 (0.42) KDM4EALDH1A1SLC18A3CYP2C19
SCHEMBL20994196 0.68 KDM4E (0.40) TSHRKDM4EATMLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381825-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-06-03 US disclosed
US-7375228-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-05-20 US disclosed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20040266769-A1 Histone deacetylase inhibitors SYRRX, INC. 2004-12-30 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-20040266769-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 TSHR 3816/4885KDM4E 111/4885ATM 2536/4885

“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.