SCHEMBL18514541

SCHEMBL18514541

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

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.32
MEN1 O00255 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
SLC2A1 P11166 1/20 0.32
TP53 P04637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NPC1 O15118 4/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 2/20 0.31
GUSB P08236 1/20 0.30
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30

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
SCHEMBL18514547 0.91 PKM (0.37) KMT2AMEN1HTTMAPTNPC1
SCHEMBL18514546 0.91 KMT2A (0.33) KMT2AMEN1HTTMAPTTP53
SCHEMBL18514552 0.90 KMT2A (0.38) KMT2AMEN1HTTMAPTIRAK4
SCHEMBL18514544 0.89 KMT2A (0.37) KMT2AMEN1HTTMAPTTP53
SCHEMBL18514550 0.89 HTT (0.34) KMT2AMEN1HTTMAPTTP53
SCHEMBL18514543 0.89 SLC22A12 (0.35) KMT2AMEN1HTTMAPTTP53
SCHEMBL18514532 0.88 AAK1 (0.35) KMT2AMEN1HTTMAPTIRAK4
SCHEMBL18514549 0.88 ALDH1A1 (0.35) KMT2AMEN1HTTMAPTNPC1
SCHEMBL18514542 0.88 MAPT (0.36) KMT2AMEN1HTTMAPTTP53
SCHEMBL18748965 0.88 ALDH1A1 (0.34) KMT2AMEN1HTTMAPTTP53

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

“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.