SCHEMBL18748827

SCHEMBL18748827

COC(=O)Nc1ccccc1COc1ccc(C)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPL P05186 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL18749176 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18748865 0.88 FFAR4 (0.42) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18748833 0.87 MAPT (0.48) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL18760766 0.87 MAPT (0.47) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18749042 0.86 MAPT (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18748809 0.86 KMT2A (0.50) SMN1; SMN2MAPTHPGDL3MBTL1KDM4E
SCHEMBL18748792 0.86 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL18748784 0.85 MRGPRX4 (0.50) NPC1RAB9ASMN1; SMN2TP53TDP1
SCHEMBL18748786 0.85 MRGPRX4 (0.50) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL18748803 0.85 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 US disclosed
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

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 NPC1 1784/4885RAB9A 143/4885SMN1; SMN2 3813/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 NPC1 2473/4885RAB9A 338/4885SMN1; 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.