SCHEMBL18514532

SCHEMBL18514532

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CREBBP Q92793 1/20 0.33
HPGD P15428 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 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
SCHEMBL18514529 0.91 RAB9A (0.39) AAK1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL18514535 0.91 AAK1 (0.36) AAK1IRAK4KMT2AMEN1SMN1; SMN2
SCHEMBL18515048 0.90 LMNA (0.36) IRAK4KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18514537 0.90 SLC22A12 (0.41) AAK1IRAK4KMT2AMEN1SMN1; SMN2
SCHEMBL18514539 0.90 AAK1 (0.36) AAK1IRAK4KMT2AMEN1SMN1; SMN2
SCHEMBL18514531 0.89 POLB (0.39) AAK1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18514533 0.89 KMT2A (0.40) AAK1IRAK4KMT2AMEN1SMN1; SMN2
SCHEMBL18748804 0.89 HPGD (0.39) AAK1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18514541 0.88 KMT2A (0.32) IRAK4KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL18514536 0.88 ALDH1A1 (0.41) AAK1KMT2ASMN1; SMN2HTTLMNA

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 AAK1 955/4885IRAK4 2812/4885KMT2A 705/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 AAK1 844/4885IRAK4 2856/4885KMT2A 1447/4885

“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.