SCHEMBL18514549

SCHEMBL18514549

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX12 P18054 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
SCHEMBL18514546 0.91 KMT2A (0.33) ALDH1A1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL18514552 0.90 KMT2A (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL18514550 0.89 HTT (0.34) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL18514547 0.89 PKM (0.37) ALDH1A1POLBSMN1; SMN2KDM4ENPC1
SCHEMBL18514543 0.89 SLC22A12 (0.35) ALDH1A1POLBSMN1; SMN2NPC1HPGD
SCHEMBL18514544 0.89 KMT2A (0.37) ALDH1A1POLBSMN1; SMN2NPC1HTT
SCHEMBL18514536 0.88 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2KDM4ENPC1
SCHEMBL18514253 0.88 MEN1 (0.37) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL18514541 0.88 KMT2A (0.32) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL18514542 0.88 MAPT (0.36) ALDH1A1POLBSMN1; SMN2NPC1RAB9A

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-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 ALDH1A1 1238/4885POLB 4673/4885SMN1; SMN2 3813/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 ALDH1A1 1416/4885POLB 4487/4885SMN1; SMN2 4067/4885

“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.