SCHEMBL12376509

SCHEMBL12376509

CC(C)c1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.55
HTR1B P28222 3/20 0.53
HTR2A P28223 3/20 0.48
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KIF11 P52732 1/20 0.40
STING1 Q86WV6 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
EIF4A3 P38919 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
CFTR P13569 1/20 0.37
NR3C1 P04150 1/20 0.35

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
SCHEMBL23490734 0.86 HTR1D (0.42) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL7916229 0.85 PRKAB2 (0.48) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL23030468 0.83 HTR1D (0.43) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL23030512 0.81 HTR2A (0.46) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL14827779 0.79 HTR1D (0.57) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL15912345 0.79 HTR1D (0.57) HTR1DHTR1BHTR2ATP53MAPT
SCHEMBL24172897 0.79 MCL1 (0.41) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL21064332 0.78 NR4A2 (0.39) HTR1DHTR1BPRKAB2PRKAG1PRKAA2
SCHEMBL22479037 0.78 HTR1D (0.55) HTR1DHTR1BHTR2APRKAB2PRKAG1
SCHEMBL15701663 0.78 HTR1D (0.55) HTR1DHTR1BHTR2APRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 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-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 HTR1D 4733/4885HTR1B 4262/4885HTR2A 3606/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A HTR1D 236/4885HTR1B 118/4885HTR2A 97/4885
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 HTR1D 64/4885HTR1B 72/4885HTR2A 105/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HTR1D 4782/4885HTR1B 4251/4885HTR2A 3605/4885

“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.