SCHEMBL21532900

SCHEMBL21532900

c1ccc2sc(-c3ccc4nc(-c5ccc6occc6c5)[nH]c4c3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
DGAT1 O75907 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHEK2 O96017 2/20 0.40
NPBWR1 P48145 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
USP2 O75604 2/20 0.39
BLM P54132 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL20381703 0.91 FOXO1 (0.39) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL18746103 0.91 MEN1 (0.42) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL20098612 0.88 NPC1 (0.45) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL21076175 0.84 MEN1 (0.41) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL18798631 0.83 APP (0.53) APPHSD17B1HSD17B2ERN1CDK9
SCHEMBL20098026 0.80 NPC1 (0.44) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL21117048 0.79 NPC1 (0.45) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL19997137 0.78 RIPK1 (0.47) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL18505945 0.76 NPC1 (0.44) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL22506832 0.76 APP (0.41) MEN1KMT2APOLBSMN1; SMN2NPC1

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-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 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-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 MEN1 1300/4885KMT2A 1010/4885POLB 3664/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 MEN1 1300/4885KMT2A 1010/4885POLB 3664/4885

“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.