SCHEMBL16945271

SCHEMBL16945271

CCc1nc2sc(C)cn2c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL16945278 0.84 KDM4E (0.40) MAPTTP53RXFP1THRBSMN1; SMN2
SCHEMBL15558971 0.82 MAPK1 (0.42) MAPTTP53RXFP1THRBSMN1; SMN2
SCHEMBL2869554 0.74 KMT2A (0.33) MAPTSMN1; SMN2HPGDKMT2AMEN1
SCHEMBL1340023 0.74 MAPK1 (0.61) MAPTTP53RXFP1SMN1; SMN2HPGD
SCHEMBL16945302 0.71 MAPT (0.51) MAPTKDM4EALDH1A1
SCHEMBL16945288 0.71 CYP2C9 (0.46)
SCHEMBL19798100 0.70 MAPT (0.37) MAPTTP53RXFP1THRBSMN1; SMN2
SCHEMBL16945328 0.70 MAPK14 (0.50) SMN1; SMN2
SCHEMBL16447554 0.69 RAB9A (0.45) MAPTTP53SMN1; SMN2KMT2APOLB
SCHEMBL33526512 0.69 DAPK3 (0.35) MAPTSMN1; SMN2HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875029-B1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS MORASKI GARRETT (US) 2021-11-10 EP disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-9605002-B2 5,5-heteroaromatic anti-infective compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-03-28 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 US disclosed
US-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC 2015-07-30 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-20150210715-A1 5,5-HETEROAROMATIC ANTI-INFECTIVE COMPOUNDS API5, CASP5, IL5 MAPT 4144/4885TP53 547/4885RXFP1 3429/4885

“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.