SCHEMBL4038668

SCHEMBL4038668

COC(=O)c1cc(OC)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ADORA2A P29274 2/20 0.51
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
NQO2 P16083 4/20 0.42
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL14448644 0.87 NQO2 (0.47) ALDH1A1KDM4ECYP1A2NQO2MAPT
SCHEMBL15019512 0.84 KDM4E (0.56) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL4696447 0.81 NQO2 (0.44) ALDH1A1KDM4ECYP1A2NQO2MAPT
SCHEMBL4038797 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL9423136 0.80 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATDP1CYP1A2
SCHEMBL2897680 0.80 LMNA (0.71) ALDH1A1KDM4ELMNATDP1NPC1
SCHEMBL31112076 0.80 KDM4E (0.44) ALDH1A1KDM4ELMNATDP1NQO2
SCHEMBL14465135 0.80 NQO2 (0.43) ALDH1A1KDM4ELMNATDP1NQO2
SCHEMBL31511598 0.80 KDM4E (0.55) ALDH1A1KDM4ERAB9ANQO2MAPT
Urea SCHEMBL28429513 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EADORA2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791436-A 2-Aminopyrimidine derivative and preparation method and application thereof 中国科学院上海药物研究所 2024-10-18 CN disclosed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 ALDH1A1 1967/4885KDM4E 1084/4885ADORA2A 4855/4885

“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.