SCHEMBL6581072

SCHEMBL6581072

Cc1cc(-c2[c]cccc2C)cc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
PSMD14 O00487 1/20 0.35
MITF O75030 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28357088 0.81 ADORA2A (0.34) MAPTMITFRAB9AADORA2AADORA2B
SCHEMBL10936903 0.77 ESR2 (0.33) SMN1; SMN2CYP1A2GAA
SCHEMBL2012933 0.77 ACHE (0.37) KDM4EALDH1A1GAA
SCHEMBL2884608 0.76 ACHE (0.42) ALDH1A1CYP1A2CYP2A6TDP1
SCHEMBL981110 0.75 TSHR (0.39) LMNAALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL7852621 0.74 MAPT (0.39) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3346134 0.74 ACHE (0.35) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL101757 0.73 ACHE (0.41) ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL11362602 0.72 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL28357115 0.72 ADORA2A (0.46) LMNAADORA2AADORA2BADORA1

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-20040097555-A1 Concomitant drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-20 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1268474-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO 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-20040097555-A1 Concomitant drugs TNF, CHUK, CNKSR1 LMNA 3773/4885KDM4E 2889/4885ALDH1A1 3292/4885

“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.