SCHEMBL22281824

SCHEMBL22281824

c1ccc2[nH]c(-c3ccc4c(c3)OC(c3ccc5nn[nH]c5c3)O4)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.44
▸ RAB9A P51151 12/20 0.44
▸ SMN1; SMN2 Q16637 11/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 11/20 0.40
▸ ALDH1A1 P00352 11/20 0.40
▸ HPGD P15428 5/20 0.40
▸ PKM P14618 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL24179259 0.92 NPC1 (0.41) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL18583800 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL18261865 0.74 NPC1 (0.56) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL24725804 0.71 NISCH (0.35) —
SCHEMBL22331935 0.70 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL20867446 0.68 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL3341124 0.68 PARP1 (0.67) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL7395837 0.68 HDAC6 (0.59) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL25726668 0.68 NPC1 (0.48) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL28117058 0.66 NPC1 (0.69) NPC1RAB9ASMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236069-B2 KIF18A inhibitors AMGEN INC. (US) 2022-02-01 — — US disclosed
US-20210387978-A1 CYCLOBUTYL DIHYDROQUINOLINE SULFONAMIDE COMPOUNDS AMGEN INC. (US) 2021-12-16 — — US disclosed
US-20200239441-A1 KIF18A INHIBITORS AMGEN INC. (US) 2020-07-30 — — 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 (3 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-20210387978-A1 CYCLOBUTYL DIHYDROQUINOLINE SULFONAMIDE COMPOUNDS TRPV1, SCN7A, TRPA1 NPC1 572/4885RAB9A 1107/4885SMN1; SMN2 263/4885
US-20200239441-A1 KIF18A INHIBITORS KIF18A, KIF18B, KIF15 NPC1 633/4885RAB9A 215/4885SMN1; SMN2 890/4885
US-11236069-B2 KIF18A inhibitors KIF18A, KIF18B, KIF15 NPC1 633/4885RAB9A 215/4885SMN1; SMN2 890/4885

“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.

Send feedback