SCHEMBL4257716

SCHEMBL4257716

COc1ccccc1-c1csc(C2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.53
HTR2C P28335 2/20 0.50
CYP19A1 P11511 1/20 0.49
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
VCP P55072 1/20 0.44
HTR3A P46098 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44

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
Bromide SCHEMBL2981940 0.99 HPGDS (0.52) HPGDSHTR2CCYP19A1ATP4AATP4B
SCHEMBL4262081 0.84 CYP1A1 (0.59) HPGDSHTR2CCYP1A2CYP2C19MEN1
Bromide SCHEMBL2985795 0.83 CYP1A1 (0.57) HPGDSHTR2CCYP1A2CYP2C19MEN1
SCHEMBL27713695 0.81 HPGDS (0.45) HPGDSHTR2CCCNT1CDK9CYP1A2
SCHEMBL2977251 0.81 CYP19A1 (0.45) HPGDSCYP19A1ATP4AATP4BVCP
SCHEMBL10040500 0.80 HPGDS (0.56) HPGDSCYP19A1ATP4AATP4BCYP1A2
SCHEMBL3765828 0.80 HPGDS (0.56) HPGDSVCPHTR3AMEN1KMT2A
SCHEMBL2305542 0.80 CYP19A1 (0.47) HPGDSCYP19A1ATP4AATP4BVCP
SCHEMBL2305535 0.80 CYP19A1 (0.47) HPGDSCYP19A1ATP4AATP4BVCP
SCHEMBL2980025 0.80 UCHL1 (0.46) CYP19A1ATP4AATP4BVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 US disclosed
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 US disclosed
WO-2021105117-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP 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 (2 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-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HPGDS 208/4885HTR2C 4530/4885CYP19A1 1767/4885
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA HPGDS 208/4885HTR2C 4530/4885CYP19A1 1767/4885

“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.