SCHEMBL23717032

SCHEMBL23717032

COc1ccc2nc(C(C)C)cc(OC)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 5/20 0.46
POLB P06746 5/20 0.44
LMNA P02545 3/20 0.44
HSD17B10 Q99714 2/20 0.44
PTPN11 Q06124 1/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
NQO2 P16083 2/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP1B1 Q16678 2/20 0.43
MAPT P10636 1/20 0.43
APP P05067 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RAD52 P43351 1/20 0.41

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
SCHEMBL3969717 0.80 LMNA (0.58) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2539829 0.77 KDM4E (0.60) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23717025 0.76 MAOA (0.46) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2609289 0.75 NCF1 (0.59) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23564604 0.74 ELANE (0.45) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23717024 0.73 MAOA (0.43) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13757621 0.73 SMN1; SMN2 (1.00) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15221575 0.73 CYP1A2 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20595475 0.72 ALDH1A1 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29991269 0.72 ALDH1A1 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1

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-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN KDM4E 1566/4885SMN1; SMN2 713/4885MEN1 1492/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN KDM4E 1566/4885SMN1; SMN2 713/4885MEN1 1492/4885

“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.