SCHEMBL18514575

SCHEMBL18514575

CCc1cc(Cl)c(OCc2c(CC)cccc2NC(=S)OC)cc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
MRGPRX4 Q96LA9 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 3/20 0.35
FGFR4 P22455 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL18749001 0.94 GAA (0.39) KDM4EALDH1A1GAAHTTMRGPRX4
SCHEMBL18514572 0.94 ALDH1A1 (0.41) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL18514568 0.94 ALDH1A1 (0.38) KDM4EALDH1A1GAAHTTMRGPRX4
SCHEMBL18514567 0.93 ALDH1A1 (0.42) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL18514573 0.91 SMN1; SMN2 (0.38) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL18514574 0.91 ALDH1A1 (0.40) KDM4EALDH1A1GAAHTTMRGPRX4
SCHEMBL18514570 0.91 ALDH1A1 (0.36) KDM4EALDH1A1GAAHTTMRGPRX4
SCHEMBL18514566 0.91 ALDH1A1 (0.36) KDM4EALDH1A1GAAHTTMRGPRX4
SCHEMBL18515414 0.90 MAPT (0.36) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL18514259 0.90 ALDH1A1 (0.34) KDM4EALDH1A1GAAHTTSMN1; SMN2

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-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105416-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 KDM4E 619/4885ALDH1A1 1238/4885GAA 3081/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KDM4E 1043/4885ALDH1A1 1416/4885GAA 3763/4885

“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.