SCHEMBL9129258

SCHEMBL9129258

CSC(C)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
GAA P10253 1/20 0.41
CYP19A1 P11511 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DDAH1 O94760 1/20 0.36
NOS1 P29475 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP17A1 P05093 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4261122 0.78 CYP3A4 (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL18812091 0.78 CYP3A4 (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL1145689 0.74 KMT2A (0.44) CYP3A4CYP2C19SLC6A4SLC6A3KMT2A
SCHEMBL14535430 0.74 KMT2A (0.44) CYP3A4CYP2C19SLC6A4SLC6A3KMT2A
SCHEMBL20809867 0.74 KMT2A (0.44) CYP3A4CYP2C19SLC6A4SLC6A3KMT2A
SCHEMBL24849599 0.74 TYR (0.42) GAANOS1LMNA
SCHEMBL8041464 0.73 CYP3A4 (0.43) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL21892893 0.73 CFTR (0.50) SLC6A2SLC6A4SLC6A3GAACYP19A1
SCHEMBL23773705 0.73 CFTR (0.50) SLC6A2SLC6A4SLC6A3GAACYP19A1
SCHEMBL724559 0.73 CYP3A4 (0.52) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus YALE UNIVERSITY (US) 2021-10-05 US disclosed
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-17 US disclosed
US-10221191-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC 2019-03-05 US disclosed
US-10000522-B2 Derivatives of uridine 5′-cyclophosphate useful to treat hepatitis C viral infections LIGAND PHARMACEUTICALS INCORPORATED (US) 2018-06-19 US disclosed
US-20170334942-A1 DERIVATIVES OF URIDINE 5'-CYCLOPHOSPHATE USEFUL TO TREAT HEPATITIS C VIRAL INFECTIONS CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2017-11-23 US disclosed
US-20170281625-A1 METHODS OF TREATING HEART FAILURE AMGEN INC. 2017-10-05 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-5422353-A Alzheimer*s disease, glaucoma treatment BOEHRINGER INGELHEIM KG (DE) 1995-06-06 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-10221191-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CYP3A4 4589/4885CYP2C19 4701/4885SLC6A2 4742/4885
US-10000522-B2 Derivatives of uridine 5′-cyclophosphate useful to treat hepatitis C viral infections UMPS, NUDT14, PNP CYP3A4 1262/4885CYP2C19 2292/4885SLC6A2 3955/4885
US-20200392121-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP3A4 3032/4885CYP2C19 4511/4885SLC6A2 1888/4885
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus CD4, HAVCR2, CD2 CYP3A4 3032/4885CYP2C19 4511/4885SLC6A2 1888/4885
US-20170334942-A1 DERIVATIVES OF URIDINE 5'-CYCLOPHOSPHATE USEFUL TO TREAT HEPATITIS C VIRAL INFECTIONS UMPS, NUDT14, PNP CYP3A4 1189/4885CYP2C19 2170/4885SLC6A2 3945/4885
US-20170281625-A1 METHODS OF TREATING HEART FAILURE FABP3, TNNI3, APLNR CYP3A4 3671/4885CYP2C19 2697/4885SLC6A2 881/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CYP3A4 4589/4885CYP2C19 4701/4885SLC6A2 4742/4885

“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.