SCHEMBL21037207

SCHEMBL21037207

CC(C)Cc1ccc2nnnnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
LMNA P02545 3/20 0.35
CYP2C9 P11712 3/20 0.35
ESR1 P03372 3/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALOX5 P09917 2/20 0.35
NFKB1 P19838 2/20 0.35
HTR2A P28223 2/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALB P02768 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NR1I3 Q14994 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35

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
SCHEMBL21037210 0.78 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL21037208 0.77 ABL1 (0.39) GABRA1GABRB2HTR2AMEN1KMT2A
SCHEMBL5018922 0.76 GABRA1 (0.44) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL8256195 0.74 PTPN11 (0.44) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL22951220 0.74 NQO2 (0.48) GABRA1GABRB2LMNAHTR2AMEN1
SCHEMBL8197998 0.74 PKM (0.55) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL18821986 0.73 GABRA1 (0.42) GABRA1GABRB2LMNAAKR1C3NFKB1
SCHEMBL18417280 0.71 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL19386404 0.71 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL13625536 0.71 GABRA1 (0.40) GABRA1GABRB2PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. 2020-06-18 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 (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-10806733-B2 Substituted benzaldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB GABRA1 639/4885GABRB2 261/4885PTGS2 53/4885
US-20200190058-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GABRA1 933/4885GABRB2 641/4885PTGS2 136/4885
US-10822326-B2 Substituted heteroaryl aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, HBG2, MB GABRA1 933/4885GABRB2 641/4885PTGS2 136/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GABRA1 639/4885GABRB2 261/4885PTGS2 53/4885

“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.