SCHEMBL863133

SCHEMBL863133

CC(=S)Nc1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.62
TDP1 Q9NUW8 2/20 0.60
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 2/20 0.52
GAA P10253 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL14511451 0.89 TAS2R38 (0.75) TAS2R38TDP1CYP3A4CYP2C19MEN1
SCHEMBL1278440 0.83 ALDH1A1 (0.61) TAS2R38TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL11410456 0.82 CYP1A2 (0.59) TDP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1276739 0.82 KMT2A (0.79) TAS2R38TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL10882395 0.81 ALDH1A1 (0.59) TAS2R38TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL7213273 0.80 NPC1 (0.61) TDP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL8705118 0.80 GAA (0.65) TAS2R38CYP3A4MEN1KMT2ANPC1
SCHEMBL14872243 0.80 TAS2R38 (0.62) TAS2R38CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL1454275 0.79 TDP1 (0.65) TDP1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL11718858 0.78 SMN1; SMN2 (0.67) TAS2R38TDP1CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295236-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS PHARMA MAR, S.A. (ES) 2023-09-21 US disclosed
US-20230295236-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS PHARMA MAR, S.A. (ES) 2023-09-21 US disclosed
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
WO-2022086079-A1 DERIVATIVE OF SEMICARBAZONE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2022-04-28 WO disclosed
CN-108570038-B Dihydroquinoxaline bromodomain recognition protein inhibitor, preparation method and application thereof 中国科学院上海药物研究所 2021-09-28 CN disclosed
WO-2021175857-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS PHARMA MAR, S.A. (ES) 2021-09-10 WO disclosed
WO-2021175829-A1 COMPOUNDS FOR USE IN AUTOIMMUNE CONDITIONS PHARMA MAR, S.A. (ES) 2021-09-10 WO disclosed
WO-2021175826-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION PHARMA MAR, S.A. (ES) 2021-09-10 WO disclosed
EP-2258366-A2 Quinoline derivatives and quinazoline derivatives capable of inhibiting autophosphorylation of hepatocyte growth factor receptors, and pharmaceutical composition comprising the same Kirin Pharma Kabushiki Kaisha (JP) 2010-12-08 EP disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS, INC. 2010-07-15 US disclosed
US-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. 2010-06-24 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-4540786-A Preparation of 2-chloro-3-cyano-quinolines THE DOW CHEMICAL COMPANY (US) 1985-09-10 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 (6 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-20100158858-A1 ADMINISTRATION OF CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES RNMT, VEGFA, VHL TAS2R38 4056/4885TDP1 2369/4885CYP1A2 2360/4885
US-20230295236-A1 COMPOUNDS FOR USE IN INFLAMMATORY CONDITIONS TLR4, TLR3, TLR2 TAS2R38 1962/4885TDP1 3579/4885CYP1A2 1380/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR TAS2R38 1165/4885TDP1 4302/4885CYP1A2 4854/4885
US-20090023720-A1 2-Amino 1H-Imidazo Ring Systems and Methods IL2, IL2RA, IL4I1 TAS2R38 2942/4885TDP1 3141/4885CYP1A2 1349/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF TAS2R38 2004/4885TDP1 1284/4885CYP1A2 3938/4885
US-20100179132-A1 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS VEGFA, FLT4, PGF TAS2R38 4544/4885TDP1 3761/4885CYP1A2 2140/4885

“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.