SCHEMBL3397530

SCHEMBL3397530

COc1ccc(S)c(NCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL12449355 0.82 GAA (0.41) KMT2AGAAMEN1MAPTLMNA
SCHEMBL2585556 0.82 KMT2A (0.62) KMT2AGAAMEN1MAPTLMNA
SCHEMBL16843457 0.81 GAA (0.47) KMT2AGAAMEN1MAPTLMNA
SCHEMBL15764263 0.78 TDP1 (0.53) KMT2AGAAMEN1MAPTLMNA
SCHEMBL18469408 0.76 ALDH1A1 (0.52) KMT2AGAAMEN1MAPTLMNA
SCHEMBL1402481 0.74 CA12 (0.62) KMT2AMEN1MAPTCA12CA1
SCHEMBL13066221 0.73 CA1 (0.50) KMT2AGAAMEN1MAPTLMNA
SCHEMBL3483279 0.72 CA12 (0.43) KMT2AMEN1MAPTL3MBTL1CA12
SCHEMBL2911817 0.70 CA12 (0.46) KMT2AGAAMEN1MAPTCA12
SCHEMBL440122 0.70 CA12 (0.62) KMT2AGAAMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156822-B2 Functionally selective ligands of dopamine D2 receptors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-13 US disclosed
US-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-05-30 US disclosed
WO-2012003418-A2 FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-01-05 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 (1 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-20130137679-A1 Novel Functionally Selective Ligands of Dopamine D2 Receptors DRD2, AVPR2, NTSR2 KMT2A 2942/4885GAA 3414/4885MEN1 3642/4885

“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.