SCHEMBL21036730

SCHEMBL21036730

CC(C)c1cn2cc(C(C)(C)c3cn4cccnc4n3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.41
ALDH1A1 P00352 12/20 0.40
KDM4E B2RXH2 10/20 0.40
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
GAA P10253 6/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MCHR1 Q99705 1/20 0.38
HPGD P15428 8/20 0.37
HSD17B10 Q99714 3/20 0.37
RCE1 Q9Y256 1/20 0.37
GLA P06280 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
GFER P55789 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12196880 0.76 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL23502136 0.74 SCN10A (0.62) SCN10AALDH1A1KDM4ENPC1RAB9A
SCHEMBL12196893 0.70 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL21937449 0.70 MCHR1 (0.60) SCN10AALDH1A1KDM4ENPC1RAB9A
SCHEMBL22220699 0.68 SCN10A (0.42) SCN10AALDH1A1KDM4ENPC1RAB9A
SCHEMBL23841231 0.67 SSTR4 (0.34) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL798511 0.66 MCHR1 (0.45) SCN10AALDH1A1KDM4ENPC1RAB9A
SCHEMBL2624378 0.66 RAB9A (0.49) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL16346664 0.65 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL12880443 0.65 APP (0.46) SCN10AALDH1A1KDM4ENPC1RAB9A

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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2019-05-30 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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB SCN10A 2229/4885ALDH1A1 216/4885KDM4E 863/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB SCN10A 2229/4885ALDH1A1 216/4885KDM4E 863/4885

“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.