SCHEMBL3248017

SCHEMBL3248017

c1ccc2c([C]3OCO3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 3/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL3237232 0.87 NISCH (0.46) MAPTSMN1; SMN2NPC1RAB9ANISCH
SCHEMBL25302086 0.75 ALDH1A1 (0.59) MAPTSMN1; SMN2NISCHALDH1A1TSHR
SCHEMBL27953 0.75 ALDH1A1 (0.59) MAPTSMN1; SMN2NISCHALDH1A1TSHR
SCHEMBL29350007 0.75 ALDH1A1 (0.59) MAPTSMN1; SMN2NISCHALDH1A1TSHR
SCHEMBL2209282 0.74 KDM4E (0.45) MAPTSMN1; SMN2NISCHALDH1A1TSHR
Bromide SCHEMBL7106161 0.73 ALDH1A1 (0.56) MAPTSMN1; SMN2NISCHALDH1A1TSHR
Hydrochloric Acid SCHEMBL4268575 0.73 ALDH1A1 (0.56) MAPTSMN1; SMN2NISCHALDH1A1TSHR
Bromide SCHEMBL8588309 0.73 ALDH1A1 (0.56) MAPTSMN1; SMN2NISCHALDH1A1TSHR
SCHEMBL6077039 0.73 ALDH1A1 (0.56) MAPTSMN1; SMN2NISCHALDH1A1TSHR
SCHEMBL18174178 0.73 ALDH1A1 (0.56) MAPTSMN1; SMN2NISCHALDH1A1TSHR

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (1 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 MAPT 4153/4885SMN1; SMN2 3933/4885NPC1 359/4885

“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.