SCHEMBL9232128

SCHEMBL9232128

Oc1cccc2[nH]ccc12.Oc1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
CYP1A2 P05177 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
PARP1 P09874 1/20 0.55
CYP2C9 P11712 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
PARP15 Q460N3 1/20 0.55
MAPK1 P28482 1/20 0.47
PIK3CD O00329 1/20 0.46
RHEB Q15382 6/20 0.43
ADRB1 P08588 1/20 0.43
HTR6 P50406 1/20 0.43
DAO P14920 1/20 0.42
ASH1L Q9NR48 1/20 0.42

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
SCHEMBL29363007 1.00 AHR (0.56) AHRCYP1A2HPGDHSD17B10KDM4E
SCHEMBL26495 1.00 AHR (0.56) AHRCYP1A2HPGDHSD17B10KDM4E
Iodide SCHEMBL30373944 0.98 AHR (0.54) AHRCYP1A2HPGDHSD17B10KDM4E
SCHEMBL25177318 0.98 AHR (0.54) AHRCYP1A2HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL8356509 0.98 AHR (0.54) AHRCYP1A2HPGDHSD17B10KDM4E
Fumaric Acid SCHEMBL29504141 0.85 ALDH1A1 (0.47) AHRCYP1A2HPGDHSD17B10KDM4E
SCHEMBL5464095 0.85 KDM4E (0.43) AHRCYP1A2HPGDHSD17B10KDM4E
Trifluoroacetic Acid SCHEMBL2936459 0.84 KDM4E (0.46) AHRCYP1A2HPGDHSD17B10KDM4E
SCHEMBL7147902 0.82 TYR (0.68) AHRCYP1A2HPGDHSD17B10KDM4E
SCHEMBL27504679 0.81 PIK3CD (0.51) AHRCYP1A2HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
EP-2847165-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-03-18 EP disclosed
WO-2013150529-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2013-10-10 WO disclosed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 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-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, INMT, IDO2 AHR 17/4885CYP1A2 141/4885HPGD 1286/4885

“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.