SCHEMBL13577172

SCHEMBL13577172

COc1cc(OC)cc(C(C)Oc2ccc(Cl)c(N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 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
SCHEMBL13577145 0.89 ALDH1A1 (0.41) SMN1; SMN2LMNAALDH1A1MEN1MAPT
SCHEMBL13577144 0.87 CASR (0.43) SMN1; SMN2ALDH1A1MEN1MAPTTHRB
SCHEMBL13577154 0.81 TP53 (0.46) SMN1; SMN2LMNAALDH1A1MEN1MAPT
SCHEMBL13577129 0.81 ALOX5 (0.47) —
SCHEMBL13577006 0.81 ALOX5 (0.47) —
SCHEMBL13577130 0.81 ALOX5 (0.47) —
SCHEMBL13577140 0.79 PPARA (0.40) SMN1; SMN2LMNAALDH1A1TP53TSHR
SCHEMBL13577167 0.78 MEN1 (0.49) LMNAALDH1A1MEN1MAPTTHRB
SCHEMBL13577171 0.78 KMT2A (0.39) SMN1; SMN2LMNAALDH1A1MEN1MAPT
SCHEMBL110854 0.78 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MEN1MAPTTHRB

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-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 SMN1; SMN2 4008/4885LMNA 2827/4885ALDH1A1 1048/4885

“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.

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