SCHEMBL10148219

SCHEMBL10148219

CC(C)c1cnc(Cl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
S100A9 P06702 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29698274 0.84 S100A9 (0.41) ALDH1A1LMNAS100A9CHRNB2CHRNA4
SCHEMBL22978658 0.84 S100A9 (0.41) ALDH1A1LMNAS100A9CHRNB2CHRNA4
SCHEMBL23534388 0.81 ALDH1A1 (0.37) ALDH1A1LMNAS100A9CHRNB2CHRNA4
SCHEMBL10388795 0.79 CHRNB2 (0.39) ALDH1A1LMNAS100A9CHRNB2CHRNA4
SCHEMBL10028338 0.78 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL25927939 0.77 IGF1R (0.33) LMNA
SCHEMBL12248251 0.77 GABRA1 (0.38) ALDH1A1LMNA
SCHEMBL12190544 0.77 LMNA (0.34) ALDH1A1LMNACHRNB2CHRNA4MAPT
SCHEMBL26137567 0.77 CHRNA7 (0.33) GAA
SCHEMBL21206568 0.75 HTT (0.54) ALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
US-8293769-B2 CSF-1R inhibitors, compositions, and methods of use NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2012-06-28 US disclosed
US-8119808-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-21 US disclosed
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-05 US disclosed
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 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 (7 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-20120165303-A1 TRIAZOLYL PHENYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 ALDH1A1 2935/4885LMNA 4279/4885S100A9 187/4885
US-20110104315-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885LMNA 4479/4885S100A9 3161/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 ALDH1A1 4109/4885LMNA 691/4885S100A9 1/4885
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 ALDH1A1 1242/4885LMNA 3953/4885S100A9 422/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 ALDH1A1 623/4885LMNA 4103/4885S100A9 780/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B ALDH1A1 4370/4885LMNA 912/4885S100A9 1/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 ALDH1A1 3577/4885LMNA 4479/4885S100A9 3161/4885

“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.