SCHEMBL7089083

SCHEMBL7089083

COc1ccc(-c2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
MAOA P21397 2/20 0.56
MAOB P27338 1/20 0.56
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
CHRNA7 P36544 2/20 0.56
CHRNA10 Q9GZZ6 2/20 0.56
CHRNA9 Q9UGM1 2/20 0.56
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
PTGS2 P35354 1/20 0.51
CYP17A1 P05093 1/20 0.50

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
SCHEMBL1224829 0.86 MEN1 (0.73) NPC1MEN1KMT2APOLBMAPK1
SCHEMBL30620465 0.86 MEN1 (0.73) NPC1MEN1KMT2APOLBMAPK1
SCHEMBL74720 0.85 MEN1 (0.71) NPC1MEN1KMT2APOLBMAPK1
SCHEMBL29992449 0.85 MEN1 (0.71) NPC1MEN1KMT2APOLBMAPK1
SCHEMBL31504069 0.85 NPC1 (0.62) NPC1MEN1KMT2APOLBMAPK1
Hydrochloric Acid SCHEMBL27528155 0.83 MEN1 (0.69) NPC1MEN1KMT2APOLBMAPK1
Ammonia Solution, Strong SCHEMBL28589598 0.83 MEN1 (0.69) NPC1MEN1KMT2APOLBMAPK1
Biphenyl SCHEMBL27962650 0.83 NPC1 (0.64) NPC1MEN1KMT2APOLBMAPK1
SCHEMBL5850255 0.82 NPC1 (0.79) NPC1CA12CA1CA2CA9
SCHEMBL8868277 0.82 MEN1 (0.58) MEN1KMT2APOLBMAPK1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112144074-B Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN claimed
CN-112144074-B Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2021-12-03 CN disclosed
CN-112144074-A Method for preparing dibit bromoindole by using electrochemical microchannel device 南京先进生物材料与过程装备研究院有限公司 2020-12-29 CN disclosed
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 US disclosed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 NPC1 487/4885MEN1 4525/4885KMT2A 1874/4885

“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.