SCHEMBL20830324

SCHEMBL20830324

Cc1cc(C)nc(SCc2[nH]n(-c3ccc(C(=O)O)cn3)c(=O)c2C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM5A P29375 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ VCP P55072 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALPL P05186 1/20 0.36

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
SCHEMBL20830323 0.86 KDM4C (0.60) HTTSMN1; SMN2KDM5AKDM2BKDM4C
SCHEMBL20830156 0.80 KDM4E (0.45) ALDH1A1MAPK1KDM4EHPGD
SCHEMBL20819229 0.64 EGFR (0.40) HTTSMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL2568811 0.63 ALDH1A1 (0.42) KDM5AKDM2BKDM4CMAPTHSD17B10
SCHEMBL15258809 0.62 KAT8 (0.51) SMN1; SMN2KDM5AKDM2BKDM4CMAPT
SCHEMBL20830294 0.61 NOX4 (0.47) HTTSMN1; SMN2KDM5AKDM2BKDM4C
SCHEMBL20830338 0.60 GAA (0.52) HTTSMN1; SMN2HSD17B10ALDH1A1MEN1
SCHEMBL14822075 0.60 UBE2T (0.68) SMN1; SMN2KDM5AKDM4CMAPTHSD17B10
SCHEMBL31420379 0.59 UBE2T (0.51) KDM5AKDM4CHSD17B10ALDH1A1MEN1
SCHEMBL28775962 0.58 CA12 (0.56) MAPTHSD17B10ALDH1A1P4HTMMIF

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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 — — US disclosed
WO-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — WO 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-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS HTT 2759/4885SMN1; SMN2 4018/4885KDM5A 4302/4885

“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.

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