SCHEMBL1826488

SCHEMBL1826488

N#Cc1ccc(N=C=S)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
LMNA P02545 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
SCHEMBL4474826 0.83 CYP19A1 (0.50) KDM4ELMNACYP19A1MEN1KMT2A
SCHEMBL28621328 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL23019286 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL10340434 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL19418221 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL6902852 0.72 ADRA2A (0.50) ALDH1A1KDM4EL3MBTL1GABRPGABRD
SCHEMBL5801527 0.72 ADRA2A (0.50) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL1973911 0.72 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15903050 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL31091859 0.72 HPGDS (0.36) ALDH1A1KDM4EGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed
EP-1373261-B1 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2011-05-04 EP disclosed
US-7405310-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2008-07-29 US disclosed
US-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-10-27 US disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
EP-1373261-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-01-02 EP disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 US disclosed
WO-2002070516-A2 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2002-09-12 WO disclosed
US-5914343-A TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, HOST VERSUS GRAFT REJECTION SUGEN, INC. (US) 1999-06-22 US disclosed
US-5760066-A AIDS, ATHEROSCLEROSIS, CANCER SUGEN, INC. (US) 1998-06-02 US disclosed
WO-1996033179-A1 THIOAMIDES DERIVATES AND THEIR USE AS INHIBITORS OF HYPER-PROLIFERATIVE CELL GROWTH SUGEN, INC. (US) 1996-10-24 WO 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-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, TYMP, PNP ALDH1A1 735/4885KDM4E 1234/4885L3MBTL1 1945/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 ALDH1A1 1540/4885KDM4E 1049/4885L3MBTL1 361/4885
US-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB ALDH1A1 1616/4885KDM4E 1551/4885L3MBTL1 1286/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 ALDH1A1 1540/4885KDM4E 1049/4885L3MBTL1 361/4885

“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.