SCHEMBL22104646

SCHEMBL22104646

CC(C)Cc1ccc2cccnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 3/20 0.41
SUCNR1 Q9BXA5 8/20 0.38
OXGR1 Q96P68 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL4823229 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL27019836 0.81 CCR1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL12895009 0.78 PDE10A (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL6221686 0.78 KDM4E (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20487944 0.77 PDE10A (0.43) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL23420779 0.76 NOS3 (0.33) ALDH1A1KDM4EPDE10AMAPTTSHR
SCHEMBL2009161 0.76 CCR1 (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3275331 0.76 KDM4E (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7514147 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL19952703 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 US disclosed
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-28 US disclosed
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2021-09-23 US disclosed
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-03 US disclosed
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 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 (5 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-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 216/4885KDM4E 863/4885LMNA 1759/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 43/4885KDM4E 1201/4885LMNA 2337/4885
US-20220125786-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 216/4885KDM4E 863/4885LMNA 1759/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB ALDH1A1 43/4885KDM4E 1201/4885LMNA 2337/4885
US-20210290619-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB ALDH1A1 216/4885KDM4E 863/4885LMNA 1759/4885

“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.