SCHEMBL2114415

SCHEMBL2114415

Fc1ccc(C2CS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CUL4A Q13619 1/20 0.35
RECQL P46063 1/20 0.35
CPA1 P15085 1/20 0.35
HTR7 P34969 1/20 0.35
LIG1 P18858 1/20 0.34

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
SCHEMBL17847704 0.75 ATM (0.39) KDM1AATMTP53GAAMAPK1
SCHEMBL19301902 0.73 HTR2C (0.47) KDM1AGAAHTR2CMEN1KMT2A
SCHEMBL9066535 0.72 NPC1 (0.50) KDM1AATMMAPK1SLC6A2HTR2A
SCHEMBL1639044 0.71 MAOA (0.63) KDM1ATP53GAAMAPK1TDP1
SCHEMBL7297943 0.71 KDM1A (0.34) KDM1AATMTP53GAAMAPK1
SCHEMBL24306021 0.70 TP53 (0.45) KDM1ATP53GAAMAPK1TDP1
SCHEMBL19036408 0.70 KDM1A (0.48) KDM1AMAPK1TDP1
SCHEMBL18723559 0.69 TP53 (0.37) KDM1AATMTP53GAAMAPK1
SCHEMBL637047 0.69 ESR1 (0.41) TP53SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL6694368 0.69 NPC1 (0.44) KDM1AATMMAPK1SLC6A2HTR2A

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
CN-118206525-A Aromatic ring [ d ] thiazepine ketone compound and preparation method thereof 北京化工大学 2024-06-18 CN disclosed
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 US disclosed
US-8158663-B2 N-[2-thiazolylidene- or 2-oxazolylidene]carbo- or heterocyclecarboxyamides, e.g., 5-chloro-2-methoxy-N-[(2Z)-3-(2-methoxyethyl)-5,5-dimethyl-1,3-thiazolidin-2-ylidene]benzamide; treating neuropathic, nociceptive, and inflammatory pain and immune, respiratory, and cardiovascular disorders ABBOTT LABORATORIES (US) 2012-04-17 US disclosed
WO-2008079687-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
WO-2006074262-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-07-13 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-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR KDM1A 3349/4885ATM 1874/4885TP53 1353/4885
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 KDM1A 2214/4885ATM 3296/4885TP53 4650/4885

“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.