SCHEMBL7084471

SCHEMBL7084471

c1ccc2cc(-c3ccc4cc[nH]c4c3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
AHR P35869 4/20 0.56
TRPA1 O75762 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
ADK P55263 1/20 0.56
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
CMA1 P23946 1/20 0.48
TYR P14679 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL25811843 0.87 NPC1 (0.50) NPC1AHRTRPA1CA1CA2
SCHEMBL30253604 0.86 NPC1 (0.71) NPC1AHRTRPA1CA1CA2
SCHEMBL443799 0.86 NPC1 (0.71) NPC1AHRTRPA1CA1CA2
SCHEMBL7088159 0.82 NPC1 (0.67) NPC1AHRTRPA1CA1CA2
SCHEMBL3334895 0.81 TYR (0.71) NPC1MEN1POLBMAPK1KMT2A
SCHEMBL1440181 0.81 AHR (0.61) NPC1AHRTRPA1CA1CA2
SCHEMBL30071614 0.81 AHR (0.61) NPC1AHRTRPA1CA1CA2
SCHEMBL7091322 0.80 NPC1 (0.54) NPC1AHRTRPA1CA1CA2
SCHEMBL8602806 0.79 NPC1 (0.45) NPC1AHRTRPA1CA1CA2
Hydrochloric Acid SCHEMBL7763064 0.79 AHR (0.58) NPC1AHRTRPA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 US disclosed
EP-0487322-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-31 EP disclosed
EP-0339887-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1996-07-10 EP disclosed
EP-0368508-B1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS (JP) 1994-09-14 EP disclosed
US-5187283-A Reacting indole(or derivatives) with organic hydroperoxide in presence of group 4,5 or 6 metals and removing water during reaction MITSUI TOATSU CHEMICALS, INC. (JP) 1993-02-16 US disclosed
EP-0487322-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-05-27 EP disclosed
US-5112987-A Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1992-05-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
CN-1042553-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1990-05-30 CN disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 NPC1 487/4885AHR 379/4885TRPA1 96/4885

“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.