SCHEMBL17068787

SCHEMBL17068787

Cc1cccc(-c2nnc(SCCC(=O)O)o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
THRB P10828 1/20 1.00
LMNA P02545 3/20 0.68
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
HPGD P15428 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
TP53 P04637 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HSD17B10 Q99714 1/20 0.61
RXFP1 Q9HBX9 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL17068753 0.88 MAPT (0.78) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068794 0.87 MAPT (0.77) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068793 0.85 MAPT (0.74) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068790 0.85 MAPT (0.74) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068757 0.85 MAPT (0.74) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068799 0.84 MAPT (0.73) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068795 0.84 MAPT (0.73) MAPTTHRBSMN1; SMN2NPC1RAB9A
SCHEMBL17068756 0.82 MAPT (0.70) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068800 0.81 MAPT (0.68) MAPTTHRBLMNASMN1; SMN2NPC1
SCHEMBL17068797 0.79 TP53 (0.68) MAPTTHRBLMNASMN1; SMN2NPC1

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 MAPT 2418/4885THRB 1319/4885LMNA 1106/4885

“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.