SCHEMBL21383403

SCHEMBL21383403

COC(=O)c1ccnc(COc2ccc(OC)cc2C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 1/20 0.49
TUBB1 Q9H4B7 1/20 0.44
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SYK P43405 3/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ERN1 O75460 1/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL21383273 0.84 KDM4E (0.49) KDM4ERAB9ATUBB1ERN1KMT2A
SCHEMBL26087615 0.80 RAB9A (0.45) RAB9AKDM4CKMT2AL3MBTL1NFKB1
SCHEMBL15065486 0.79 KDM4E (0.48) KDM4ERAB9ATUBB1ERN1TRIM24
SCHEMBL21383303 0.79 MRGPRX4 (0.58) KDM4ERAB9ATUBB1MTNR1AMTNR1B
SCHEMBL15474708 0.78 SYK (0.63) KDM4ETUBB1MTNR1AMTNR1BSYK
SCHEMBL21383095 0.76 RAB9A (0.48) KDM4ERAB9ATUBB1SYKERN1
SCHEMBL21383354 0.76 KDM4E (0.48) KDM4ERAB9ATUBB1MTNR1AMTNR1B
SCHEMBL21383370 0.75 KDM4E (0.49) KDM4ERAB9ATUBB1MTNR1AMTNR1B
SCHEMBL21383373 0.75 ERN1 (0.44) KDM4ERAB9AKDM6BKDM5CKDM4C
SCHEMBL6693981 0.75 RAB9A (0.56) RAB9ATUBB1KMT2AL3MBTL1ALDH1A1

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
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-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
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 (3 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-20240109843-A1 BENZALDEHYDE COMPOUNDS WITH DIRECT POLYMER DESTABILIZING EFFECTS TO TREAT SICKLE CELL DISEASE HBG1, HBB, HBG2 KDM4E 2857/4885RAB9A 2532/4885TUBB1 996/4885
US-20210002225-A1 AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE HBG1, HBG2, HBB KDM4E 1831/4885RAB9A 2448/4885TUBB1 3667/4885
US-11401241-B2 Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease HBG1, HBG2, HBB KDM4E 1831/4885RAB9A 2448/4885TUBB1 3667/4885

“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.