SCHEMBL17068798

SCHEMBL17068798

Cc1occc1-c1nnc(SCCC(=O)O)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
MAPT P10636 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
ALDH1A1 P00352 5/20 0.65
RAB9A P51151 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
TP53 P04637 3/20 0.58
THRB P10828 1/20 0.58
PKM P14618 1/20 0.55
NPC1 O15118 3/20 0.54
RECQL P46063 1/20 0.54
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 2/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 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
SCHEMBL17068764 0.88 LMNA (0.61) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17068795 0.77 MAPT (0.73) MAPTSMN1; SMN2ALDH1A1RAB9ATSHR
SCHEMBL17063600 0.77 SMN1; SMN2 (0.78) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17068793 0.75 MAPT (0.74) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17063585 0.75 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL17063579 0.73 SMN1; SMN2 (1.00) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17068787 0.73 MAPT (1.00) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17068796 0.73 GLA (0.72) MAPTSMN1; SMN2ALDH1A1RAB9ATP53
SCHEMBL17063572 0.72 TP53 (0.65) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL17068791 0.72 TP53 (0.69) MAPTSMN1; SMN2RAB9AMEN1KMT2A

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 LMNA 1106/4885MAPT 2418/4885SMN1; SMN2 3070/4885

“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.