SCHEMBL29354546

SCHEMBL29354546

CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 2/20 0.70
GAA P10253 2/20 0.70
MAPK1 P28482 1/20 0.70
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
FLT3 P36888 1/20 0.65
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 2/20 0.62
MAPT P10636 1/20 0.62
DAO P14920 1/20 0.62
HPGD P15428 1/20 0.62
SRD5A2 P31213 1/20 0.62
DRD2 P14416 2/20 0.61
DRD3 P35462 1/20 0.61
EGFR P00533 4/20 0.60
PIK3CA P42336 4/20 0.60
HTR2C P28335 1/20 0.60

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
SCHEMBL1254745 1.00 KDM4E (0.70) KDM4EALDH1A1GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL30164372 0.98 KDM4E (0.68) KDM4EALDH1A1GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL27979417 0.98 KDM4E (0.68) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL30884907 0.88 KDM4E (0.64) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL7877575 0.84 KDM4E (0.59) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL31081137 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL721792 0.84 KDM4E (0.72) KDM4EALDH1A1GAAMAPK1NPC1
Hydrochloric Acid SCHEMBL7882333 0.83 KDM4E (0.57) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL4739061 0.83 KDM4E (0.66) KDM4EALDH1A1GAAMAPK1NPC1
SCHEMBL23331084 0.82 FLT3 (0.70) KDM4EALDH1A1GAAMAPK1NPC1

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
WO-2023107419-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2023-06-15 WO disclosed
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR KDM4E 1602/4885ALDH1A1 2152/4885GAA 1766/4885

“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.