SCHEMBL16624314

SCHEMBL16624314

COC(=O)c1ccc(Cc2c(C)nc(N)nc2O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.41
DHFR P00374 4/20 0.40
GLA P06280 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL30037326 0.88 TLR7 (0.48) TLR7MAPTL3MBTL1
SCHEMBL853847 0.88 TLR7 (0.48) TLR7MAPTL3MBTL1
SCHEMBL4215783 0.88 TLR7 (0.47) TLR7DHFRGLAALDH1A1KDM4E
SCHEMBL30035518 0.86 TLR7 (0.50) TLR7ALDH1A1MAPT
SCHEMBL20212312 0.86 TLR7 (0.50) TLR7ALDH1A1MAPT
SCHEMBL30037453 0.86 TLR7 (0.50) TLR7ALDH1A1MAPT
Guanidine SCHEMBL2854796 0.82 TLR7 (0.43) TLR7DHFRALDH1A1MPOL3MBTL1
SCHEMBL21667558 0.82 DHFR (0.57) TLR7DHFRTP53ALDH1A1KDM4E
SCHEMBL4214528 0.81 LMNA (0.46) TLR7DHFRNPC1RAB9ASMN1; SMN2
SCHEMBL25721981 0.78 TDP1 (0.52) GLATP53SMN1; SMN2ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-09-01 US disclosed
US-9376398-B2 Carboxylic acid compounds SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2016-06-28 US disclosed
US-20150099770-A1 CARBOXYLIC ACID COMPOUNDS Sumitomo Pharma Co., Ltd. (JP) 2015-04-09 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-20150099770-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 TLR7 87/4885DHFR 1267/4885GLA 1182/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 TLR7 87/4885DHFR 1267/4885GLA 1182/4885

“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.