SCHEMBL9607650

SCHEMBL9607650

COc1ccc(C2SCC(CN)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAOA P21397 3/20 0.41
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 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
SCHEMBL6862954 0.84 PTGS1 (0.41) HTR2CMAOAKDM1AMAOBPTGS2
SCHEMBL9605354 0.82 HTR2A (0.42) HTR2CKMT2ATAAR1MAPTKDM4E
SCHEMBL6860783 0.76 POLB (0.33) HTR2CMAOAKDM1AMAOBPTGS2
SCHEMBL6861257 0.76 PTGS1 (0.33) HTR2CMAOAKDM1AMAOBPTGS2
SCHEMBL13033871 0.76 MMP2 (0.39) PTGS2PTGS1KMT2AGAAMAPT
SCHEMBL6860789 0.74 GAA (0.39) PTGS2PTGS1KMT2AGAAMAPT
SCHEMBL6856677 0.74 CA1 (0.36) PTGS2PTGS1KMT2AGAAMAPT
SCHEMBL28751274 0.71 MMP2 (0.41)
SCHEMBL10642813 0.70 MAOA (0.51) HTR2CMAOAKDM1AMAOBPTGS2
SCHEMBL5212503 0.69 GABRP (0.37) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2012-05-31 US disclosed
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-18 US disclosed
US-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-11-18 US disclosed
WO-2009154828-A9 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-05-06 WO disclosed
WO-2009154828-A2 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-12-23 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 (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-20100292135-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, DNA2, WRN HTR2C 4211/4885SLC6A2 3805/4885SLC6A4 4470/4885
US-20120135092-A1 INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS RECQL, WRN, ADAR HTR2C 3491/4885SLC6A2 3710/4885SLC6A4 4244/4885

“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.