SCHEMBL21777005

SCHEMBL21777005

Oc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
NPC1 O15118 6/20 0.60
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 4/20 0.60
TP53 P04637 3/20 0.60
TSHR P16473 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NOTUM Q6P988 1/20 0.60
ALDH1A1 P00352 5/20 0.55
NFKB1 P19838 1/20 0.53
CASP3 P42574 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ALOX15B O15296 1/20 0.53
ACHE P22303 2/20 0.52
BACE1 P56817 1/20 0.52
HPGD P15428 2/20 0.51

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
SCHEMBL21887193 0.84 NPC1 (0.79) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL27851473 0.82 RAB9A (0.55) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL23451582 0.79 NPC1 (0.72) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL2837217 0.79 NPC1 (0.72) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL22996209 0.79 KDM4E (0.66) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL27285808 0.79 DGAT1 (0.60) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL21776948 0.79 NOTUM (0.51) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL23451758 0.79 NOTUM (0.60) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL2677612 0.78 NPC1 (0.64) RAB9ANPC1KDM4EHSD17B10TP53
SCHEMBL4523089 0.78 NPC1 (0.70) RAB9ANPC1KDM4EHSD17B10TSHR

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-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 RAB9A 2177/4885NPC1 51/4885KDM4E 3907/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT RAB9A 1162/4885NPC1 7/4885KDM4E 4149/4885

“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.