SCHEMBL18749045

SCHEMBL18749045

CCc1cc(C)ccc1OCc1c(F)cccc1NC(=S)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 2/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL18748945 0.90 KDM4E (0.41) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18514250 0.89 KMT2A (0.38) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18748962 0.89 KDM4E (0.36) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18748807 0.89 HPGD (0.42) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18748903 0.89 KDM4E (0.38) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18748969 0.89 MRGPRX4 (0.46) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18749041 0.88 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18748905 0.88 MRGPRX4 (0.41) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18749048 0.87 GAA (0.41) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL18749096 0.87 CYP1A2 (0.38) ALDH1A1KMT2ALMNAMEN1SMN1; 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-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
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

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 ALDH1A1 1238/4885KMT2A 705/4885LMNA 2808/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885KMT2A 1447/4885LMNA 3163/4885

“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.