SCHEMBL21037223

SCHEMBL21037223

CSc1cc2ccccc2n2nnnc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.56
MEN1 O00255 10/20 0.56
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TNKS O95271 4/20 0.41
MAPT P10636 11/20 0.40
RAB9A P51151 4/20 0.40
TOP1 P11387 1/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL14501908 0.79 MEN1 (0.60) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15131095 0.75 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4489136 0.73 KMT2A (0.57) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14209236 0.72 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5110184 0.72 MEN1 (0.52) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL11326239 0.71 KMT2A (0.53) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4497665 0.71 MEN1 (0.55) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4492144 0.70 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4487724 0.70 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4497379 0.70 MEN1 (0.54) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2

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 KMT2A 1436/4885MEN1 4829/4885KDM4E 863/4885
US-20190160060-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB KMT2A 1436/4885MEN1 4829/4885KDM4E 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.