SCHEMBL16018753

SCHEMBL16018753

CC(C)c1nc(Cc2ccc(F)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.43
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
ADORA2A P29274 1/20 0.38
LMNA P02545 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HTR2C P28335 1/20 0.36
PTPRB P23467 1/20 0.35
FYN P06241 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TRPA1 O75762 1/20 0.35
TACR3 P29371 1/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 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
SCHEMBL10248929 0.83 SLC6A3 (0.43) SLC6A3DRD2HTR2AHRH1CACNA1G
SCHEMBL10249190 0.83 SLC6A3 (0.56) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL10252529 0.83 LTA4H (0.47) SLC6A3DRD2HTR2AHRH1LMNA
SCHEMBL13604293 0.81 CYP17A1 (0.44) SLC6A3DRD2HTR2AHRH1RAB9A
SCHEMBL10252493 0.81 LTA4H (0.48) SLC6A3LMNARAB9ANPC1ALDH1A1
SCHEMBL16018755 0.80 SLC6A3 (0.39) SLC6A3DRD2HTR2AHRH1ADORA2A
SCHEMBL10248949 0.80 LOXL2 (0.42) SLC6A3DRD2HTR2AHRH1PTPRB
SCHEMBL16020929 0.79 KMT2A (0.52) SLC6A3LMNARXFP1RAB9AKMT2A
SCHEMBL10248870 0.78 SLC6A3 (0.43) SLC6A3DRD2HTR2AHRH1PTPRB
SCHEMBL16016394 0.77 HDAC1 (0.44) SLC6A3LMNAFYNHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9200009-B2 Polycyclic pyridone derivative having integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-11 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 (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-20140256937-A1 POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY TYMP, CDK6, IMPA1 SLC6A3 4046/4885DRD2 2298/4885HTR2A 3544/4885

“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.