SCHEMBL18514930

SCHEMBL18514930

CCc1ccc(OCc2c(C)cccc2NC(=S)OC)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18515001 0.91 ALDH1A1 (0.38) TNKS2MRGPRX4LMNARAB9AMAPT
SCHEMBL18514977 0.90 LMNA (0.42) LMNARAB9AMAPTHTTPKM
SCHEMBL18514227 0.90 SLC22A12 (0.39) SLC22A12MRGPRX4LMNARAB9AMAPT
SCHEMBL18515006 0.89 KMT2A (0.38) TNKS2MRGPRX4LMNARAB9AMAPT
SCHEMBL18515005 0.88 MAPT (0.38) TNKS2LMNARAB9AMAPTHTT
SCHEMBL18514978 0.88 SMN1; SMN2 (0.41) TNKS2MRGPRX4LMNARAB9AL3MBTL1
SCHEMBL18515004 0.88 KMT2A (0.35) TNKS2MRGPRX4LMNARAB9AMAPT
SCHEMBL18514931 0.88 ALDH1A1 (0.43) TNKS2LMNARAB9AHTTPKM
SCHEMBL18514254 0.88 SLC22A12 (0.40) SLC22A12LMNARAB9AMAPTL3MBTL1
SCHEMBL18514518 0.88 MRGPRX4 (0.43) TNKS2SLC22A12MRGPRX4LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 TNKS2 4557/4885SLC22A12 4063/4885MRGPRX4 959/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 TNKS2 4347/4885SLC22A12 4001/4885MRGPRX4 778/4885

“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.