SCHEMBL21383373

SCHEMBL21383373

COC(=O)c1ccnc(COc2cccc(O)c2C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
KDM4E B2RXH2 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 1/20 0.41
PPIA P62937 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26087615 0.84 RAB9A (0.45) KDM4CL3MBTL1PPIARAB9ANPC1
SCHEMBL21393323 0.83 CYP1A2 (0.41) ERN1KDM4EKDM5CCYP1A2CYP3A4
SCHEMBL21383047 0.83 L3MBTL1 (0.42) ERN1KDM4ECYP1A2CYP3A4CYP2C8
SCHEMBL6027093 0.82 MRGPRX4 (0.55) ERN1KDM4EL3MBTL1RAB9AHPGD
SCHEMBL5756261 0.80 MAPT (0.61) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21385830 0.79 MRGPRX4 (0.56) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21383460 0.79 LMNA (0.43) ERN1KDM4ECYP1A2CYP3A4CYP2C8
SCHEMBL27188142 0.76 KDM4E (0.51) KDM4ECYP1A2CYP3A4CYP2C8CYP2C9
SCHEMBL21383166 0.76 CYP1A2 (0.55) ERN1KDM4ECYP1A2CYP3A4CYP2C8
SCHEMBL21383167 0.76 CYP1A2 (0.48) ERN1KDM4ECYP1A2CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE KING ABDULAZIZ UNIVERSITY (SA) 2024-04-04 US disclosed
US-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY 2022-10-27 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-08-02 US disclosed
EP-3768264-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE Virginia Commonwealth University (US) 2021-01-27 EP disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-01-07 US disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019182938-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-09-26 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 (4 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-20220340531-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB ERN1 4132/4885KDM4E 1831/4885KDM4C 2301/4885
US-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 ERN1 3516/4885KDM4E 2857/4885KDM4C 2683/4885
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB ERN1 4132/4885KDM4E 1831/4885KDM4C 2301/4885
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease HBG1, HBG2, HBB ERN1 4132/4885KDM4E 1831/4885KDM4C 2301/4885

“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.