SCHEMBL16248201

SCHEMBL16248201

CC(C)c1ncc(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB1 P18505 1/20 0.39
PLAU P00749 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 4/20 0.34
S100A9 P06702 2/20 0.34
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GUSB P08236 2/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2609312 0.78 LMNA (0.44) PLAUMAPK1LMNATSHRSMN1; SMN2
SCHEMBL4334828 0.78 GABRA1 (0.33) GABRA1LMNASMN1; SMN2HTTMAPT
SCHEMBL12868064 0.77 S1PR1 (0.40) GABRA1GABRB1LMNATSHRSMN1; SMN2
SCHEMBL17574705 0.77 GABRA1 (0.45) GABRA1GABRB1MAPK1LMNATSHR
SCHEMBL24249007 0.77 KDM4E (0.44) GABRA1PLAULMNAKMT2AKDM4E
SCHEMBL16248205 0.77 GABRA1 (0.42) GABRA1MAPK1LMNATSHRSMN1; SMN2
SCHEMBL21139641 0.76 NNMT (0.41) PLAULMNASMN1; SMN2HTTMAPT
SCHEMBL12248257 0.75 IDO1 (0.35) PLAULMNATSHRSMN1; SMN2CYP2C9
SCHEMBL21736816 0.75 PLAU (0.42) GABRA1GABRB1PLAULMNATSHR
SCHEMBL12186132 0.75 S1PR3 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-12-08 US disclosed
US-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-06-17 US disclosed
EP-3712144-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-09-23 EP disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 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 (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-20210179648-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 GABRA1 439/4885GABRB1 456/4885PLAU 2337/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 GABRA1 2729/4885GABRB1 3064/4885PLAU 3128/4885
US-20220389039-A1 P2X3 AND/OR P2X2/3 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF P2RX3, P2RX2, P2RX7 GABRA1 266/4885GABRB1 251/4885PLAU 3172/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B GABRA1 2958/4885GABRB1 3211/4885PLAU 2651/4885

“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.