SCHEMBL21037210

SCHEMBL21037210

CC(C)Cc1ccc2nncnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PDE10A Q9Y233 1/20 0.32
ABL1 P00519 1/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 3/20 0.32
LMNA P02545 3/20 0.32
CYP2C9 P11712 3/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ESR1 P03372 2/20 0.32
NFKB1 P19838 2/20 0.32
HTR2A P28223 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32

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
SCHEMBL21037207 0.78 GABRA1 (0.44) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL5018922 0.78 GABRA1 (0.44) GABRA1GABRB2POLBMEN1KMT2A
SCHEMBL8400105 0.73 NOS3 (0.41) POLBMEN1KMT2AMAPTLMNA
SCHEMBL21477555 0.73 NPC1 (0.39) POLBMEN1KMT2AMAPTPTGS1
SCHEMBL19386404 0.72 GABRA1 (0.40) GABRA1GABRB2PDE10AABL1POLB
SCHEMBL18417280 0.72 GABRA1 (0.40) GABRA1GABRB2ABL1POLBMEN1
SCHEMBL23330362 0.71 EGFR (0.50) GABRA1GABRB2ABL1
SCHEMBL20109814 0.71 EGFR (0.50) GABRA1GABRB2PDE10AABL1ALOX5
SCHEMBL16538530 0.70 PDE4A (0.44) GABRA1GABRB2POLBLMNASMN1; SMN2
SCHEMBL16538407 0.70 GABRA1 (0.38) GABRA1GABRB2ABL1POLBMEN1

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 GABRA1 639/4885GABRB2 261/4885PDE10A 970/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB GABRA1 639/4885GABRB2 261/4885PDE10A 970/4885

“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.