SCHEMBL4943598

SCHEMBL4943598

COC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
LMNA P02545 6/20 0.65
ALDH1A1 P00352 6/20 0.65
POLB P06746 2/20 0.65
GAA P10253 1/20 0.65
TDP1 Q9NUW8 4/20 0.64
MAPT P10636 3/20 0.64
HPGD P15428 4/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PDE7A Q13946 1/20 0.62
PDE3A Q14432 1/20 0.62
SLC9A1 P19634 1/20 0.61
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPFFR1 Q9GZQ6 1/20 0.45

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
SCHEMBL29941882 0.83 ALDH1A1 (0.70) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL376111 0.83 ALDH1A1 (0.70) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL3058461 0.82 LMNA (0.64) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4946572 0.80 RAB9A (0.67) SMN1; SMN2ALDH1A1GAATDP1MAPT
SCHEMBL4946365 0.78 ALDH1A1 (0.61) SMN1; SMN2LMNAALDH1A1POLBTDP1
SCHEMBL4937140 0.77 SLC9A1 (0.60) SMN1; SMN2LMNAALDH1A1POLBGAA
SCHEMBL4942886 0.77 ALDH1A1 (0.69) SMN1; SMN2LMNAALDH1A1TDP1MAPT
SCHEMBL4937754 0.77 ALDH1A1 (0.74) SMN1; SMN2LMNAALDH1A1TDP1MAPT
SCHEMBL3030932 0.77 MAPT (0.65) SMN1; SMN2LMNAALDH1A1TDP1MAPT
SCHEMBL21981938 0.77 HTT (0.67) LMNAALDH1A1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2019-10-24 US disclosed
WO-2018071526-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE (US) 2018-04-19 WO disclosed
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 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 (2 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 SMN1; SMN2 1875/4885LMNA 4022/4885ALDH1A1 297/4885
US-20190322644-A1 HETEROCYCLIC APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, GRPR, BID SMN1; SMN2 3744/4885LMNA 2501/4885ALDH1A1 3346/4885

“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.