SCHEMBL4253033

SCHEMBL4253033

O=C(Cl)c1ccc(Oc2cccc(F)c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.54
KCNH2 Q12809 2/20 0.53
LIPE Q05469 2/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.42
MAP4K4 O95819 1/20 0.42
GAA P10253 1/20 0.42
HPGDS O60760 1/20 0.41
CTSA P10619 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30803810 0.87 HRH3 (0.55) HRH3KCNH2LIPEUSP2KMT2A
SCHEMBL4256656 0.87 HRH3 (0.55) HRH3KCNH2LIPEUSP2KMT2A
SCHEMBL4253237 0.83 MEN1 (0.59) HRH3LIPEKMT2ARAB9AGAA
SCHEMBL2766426 0.82 KDM4E (0.55) HRH3LIPEKMT2AALDH1A1L3MBTL1
SCHEMBL3645651 0.82 HRH3 (0.53) HRH3KCNH2LIPEHPGDSCTSA
SCHEMBL4252330 0.81 KDM4E (0.56) HRH3KCNH2RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4254469 0.80 OPRM1 (0.45) HRH3KCNH2ALDH1A1
SCHEMBL30737317 0.79 F10 (0.52) HRH3KMT2ARAB9AGAAALDH1A1
SCHEMBL30737388 0.78 CHEK2 (0.45) HRH3KMT2ARAB9AGAACTSA
SCHEMBL4260031 0.78 HSPB1 (0.56) KMT2AMAP4K4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F HRH3 61/4885KCNH2 394/4885LIPE 2145/4885

“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.