SCHEMBL18514552

SCHEMBL18514552

CCc1ccc(OCc2c(NC(=S)OC)cccc2OC)c(C(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SGMS2 Q8NHU3 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
GAA P10253 4/20 0.34
CALM1 P0DP23 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL18514544 0.95 KMT2A (0.37) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514546 0.93 KMT2A (0.33) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514547 0.91 PKM (0.37) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514550 0.91 HTT (0.34) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514543 0.91 SLC22A12 (0.35) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514549 0.90 ALDH1A1 (0.35) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514541 0.90 KMT2A (0.32) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514542 0.90 MAPT (0.36) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514533 0.89 KMT2A (0.40) KMT2AHTTMEN1MAPTLMNA
SCHEMBL18514548 0.88 MRGPRX4 (0.35) KMT2AHTTMEN1MAPTLMNA

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 KMT2A 705/4885HTT 2020/4885MEN1 1194/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885HTT 2506/4885MEN1 2823/4885

“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.