SCHEMBL17068754

SCHEMBL17068754

O=C(O)CCSc1nc2ccccc2n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 1.00
PTGDR2 Q9Y5Y4 6/20 0.67
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RAB9A P51151 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
DRD2 P14416 2/20 0.60
TBXA2R P21731 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60

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
SCHEMBL9683188 0.86 L3MBTL1 (0.74) L3MBTL1PTGDR2MEN1KMT2ADRD2
SCHEMBL4451025 0.83 L3MBTL1 (0.71) L3MBTL1PTGDR2MAPK1SMN1; SMN2RAB9A
SCHEMBL5107724 0.80 PTGDR2 (1.00) L3MBTL1PTGDR2ATM
SCHEMBL12195211 0.79 MEN1 (0.76) L3MBTL1PTGDR2SMN1; SMN2MEN1KMT2A
SCHEMBL7757607 0.79 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2RAB9AKMT2ANPSR1
SCHEMBL8368585 0.78 L3MBTL1 (0.64) L3MBTL1PTGDR2MAPK1SMN1; SMN2RAB9A
SCHEMBL5109955 0.77 PTGDR2 (1.00) L3MBTL1PTGDR2MEN1KMT2A
SCHEMBL943551 0.77 L3MBTL1 (0.71) L3MBTL1PTGDR2SMN1; SMN2ATMNPSR1
SCHEMBL4307028 0.77 SLC12A2 (0.67) L3MBTL1PTGDR2MAPK1KMT2AHCRTR1
SCHEMBL9683001 0.77 CTSG (0.66) L3MBTL1PTGDR2MEN1KMT2ADRD2

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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 US disclosed
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 L3MBTL1 967/4885PTGDR2 2658/4885MAPK1 1742/4885

“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.