SCHEMBL2704151

SCHEMBL2704151

CC(C)(C)c1c[nH]c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
DAO P14920 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR1D P28221 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL891125 0.76 HMBS (0.46) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL12792828 0.74 HMBS (0.50) DAOPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL21719649 0.72 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL22168266 0.72 DAO (0.32) DAO
SCHEMBL19656676 0.72 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL23987231 0.72 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL21719602 0.72 DAO (0.32) DAOHPGD
SCHEMBL21719660 0.72 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1HPGD
SCHEMBL20844174 0.72 PKM (0.39) DAOPKM
SCHEMBL20844172 0.72 DAO (0.37) DAOHPGD

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043613-B2 Inhibitors of SARM1 DISARM THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20110076387-A1 METHOD FOR IMPARTING ANTIBIOTIC ACTIVITY TO THE SURFACE OF A SOLID SUBSTRATE LONZA, INC. (US) 2011-03-31 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-08-09 US disclosed
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2007-04-12 US disclosed
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES JANSSEN PHARMACUETICA N.V., (BE) 2007-03-22 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 (11 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-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 GABRA1 1248/4885GABRB2 774/4885DAO 3999/4885
US-20070066819-A1 PROCESS FOR THE PREPARATION OF BENZOTRIAZEPINE DERIVATIVES CCKBR, CCKAR, GRPR GABRA1 6/4885GABRB2 8/4885DAO 1373/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 GABRA1 2998/4885GABRB2 3346/4885DAO 909/4885
US-20070082892-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR GABRA1 8/4885GABRB2 14/4885DAO 1450/4885
US-12043613-B2 Inhibitors of SARM1 SARM1, SMN1; SMN2, SARNP GABRA1 2190/4885GABRB2 1724/4885DAO 4084/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 GABRA1 3613/4885GABRB2 3687/4885DAO 1630/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 GABRA1 2/4885GABRB2 11/4885DAO 1144/4885
US-20070185093-A1 Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands CCKBR, GRPR, CCKAR GABRA1 8/4885GABRB2 14/4885DAO 1450/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 GABRA1 3598/4885GABRB2 4040/4885DAO 138/4885
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 GABRA1 399/4885GABRB2 445/4885DAO 1276/4885
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same HLA-B, HLA-A, SLC10A1 GABRA1 1769/4885GABRB2 2143/4885DAO 3357/4885

“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.