SCHEMBL18913402

SCHEMBL18913402

CSNc1cccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GRM5 P41594 2/20 0.47
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FDPS P14324 1/20 0.46
FDFT1 P37268 1/20 0.46
HSD11B1 P28845 2/20 0.45
GBA1 P04062 2/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL30558522 0.81
SCHEMBL306134 0.81
Hydrochloric Acid SCHEMBL6363468 0.79 RAB9A (0.55) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL229747 0.78 RAB9A (0.59) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL30754820 0.74
SCHEMBL19915750 0.74
SCHEMBL10138645 0.74
SCHEMBL2007460 0.74
SCHEMBL20003708 0.74
SCHEMBL4316235 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975853-B2 Tetrahydroisoquinolinone derivatives and their use in the inhibition of the HSP70 protein JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2018-05-22 US disclosed
US-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2017-06-01 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 (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-20170152229-A1 TETRAHYDROISOQUINOLINONE DERIVATIVES AND THEIR USE IN THE INHIBITION OF THE HSP70 PROTEIN HSPH1, HSP90AB1, HSP90AB2P RAB9A 2087/4885MEN1 4303/4885KMT2A 3642/4885

“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.