SCHEMBL15960732

SCHEMBL15960732

Cc1cc2c(Cl)ccnc2cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.52
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
AXL P30530 1/20 0.38
PRKCI P41743 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
G6PD P11413 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL29576809 0.85 TLR8 (0.43) TLR8MAPTGAAAXLPRKCI
SCHEMBL2748326 0.85 TLR8 (0.43) TLR8MAPTGAAAXLPRKCI
SCHEMBL6002911 0.85 TLR8 (0.43) TLR8MAPTAXLPRKCIKDM4E
SCHEMBL22959954 0.83 TLR8 (0.42) TLR8MAPTGAAAXLPRKCI
SCHEMBL29487149 0.83 TLR8 (0.42) TLR8MAPTGAAAXLPRKCI
SCHEMBL21136920 0.79 TLR8 (0.46) TLR8MAPTGAAATMKDM4E
SCHEMBL22959955 0.79 ESR1 (0.39) TLR8MAPTGAAAXLPRKCI
SCHEMBL12497089 0.79 TLR8 (0.39) TLR8MAPTGAAAXLPRKCI
SCHEMBL5522989 0.79 TLR8 (0.39) TLR8MAPTAXLPRKCIKDM4E
SCHEMBL12786975 0.79 TLR8 (0.39) TLR8MAPTAXLPRKCIKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
EP-2462117-B1 QUINOLINYLOXYPHENYLSULFONAMIDES MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-06-28 EP disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-9353122-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 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 (4 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-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TLR8 1149/4885MAPT 1508/4885GAA 45/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TLR8 1149/4885MAPT 1508/4885GAA 45/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TLR8 1149/4885MAPT 1508/4885GAA 45/4885
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 TLR8 1149/4885MAPT 1508/4885GAA 45/4885

“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.