SCHEMBL22313617

SCHEMBL22313617

CN1C(=O)S/C(=C/c2cc3c(s2)-c2sc(N(C)CCO)cc2C3(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 12/20 0.36
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN1 P18031 3/20 0.32
MYC P01106 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL22314210 0.82 CGAS (0.36) CGASNPC1RAB9AMEN1KMT2A
SCHEMBL24992003 0.81 NAT1 (0.40) CGASRAB9APOLBALDH1A1MAPT
SCHEMBL24992378 0.81 MEN1 (0.38) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL21160454 0.79
SCHEMBL24992383 0.78
SCHEMBL24999635 0.77 CGAS (0.40) CGASNPC1RAB9AMEN1KMT2A
SCHEMBL25000860 0.76 PRF1 (0.39)
SCHEMBL24992415 0.75 ALDH1A1 (0.31) MEN1KMT2AALDH1A1MAPT
SCHEMBL24999636 0.70 NAT1 (0.44) CGASMEN1KMT2AALDH1A1MAPT
SCHEMBL24992647 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-06 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-20200248069-A1 FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF WASF2, FAM162A, HASPIN CGAS 4016/4885NPC1 1881/4885RAB9A 3069/4885

“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.