SCHEMBL18514530

SCHEMBL18514530

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSP90AA1 P07900 1/20 0.35
TP53 P04637 2/20 0.34
USP2 O75604 2/20 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
SCHEMBL18514535 0.91 AAK1 (0.36) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL18515049 0.90 HSP90AA1 (0.39) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL18514537 0.90 SLC22A12 (0.41) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL18514539 0.90 AAK1 (0.36) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL18514533 0.89 KMT2A (0.40) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL18514531 0.89 POLB (0.39) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL18514529 0.89 RAB9A (0.39) KMT2AMEN1POLBSMN1; SMN2NPC1
SCHEMBL18748806 0.89 HPGD (0.39) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL18513862 0.88 MAPT (0.41) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL18514542 0.88 MAPT (0.36) KMT2AMEN1POLBMAPTSMN1; 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-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 1194/4885POLB 4673/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885MEN1 2823/4885POLB 4487/4885

“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.