SCHEMBL21802182

SCHEMBL21802182

Cn1nc(CCOC2CCCCO2)c(Br)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
GCK P35557 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL21802183 0.90 MEN1 (0.39) MEN1KMT2ARAB9AADORA3L3MBTL1
SCHEMBL29602501 0.87 MEN1 (0.38) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL19635445 0.87 MEN1 (0.38) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL19615379 0.81 KDM4C (0.39) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL19635898 0.77 TSHR (0.37) MEN1KMT2ARAB9ANPC1ADORA3
SCHEMBL29601953 0.77 TSHR (0.37) MEN1KMT2ARAB9ANPC1ADORA3
SCHEMBL22437573 0.71 KDM4C (0.34) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL19635178 0.71 MEN1 (0.31) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL20521691 0.71 NPC1 (0.32) MEN1KMT2AKDM4CRAB9ANPC1
SCHEMBL27898717 0.70 SMN1; SMN2 (0.47) RAB9ANPC1L3MBTL1POLBMAPT

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MEN1 114/4885KMT2A 772/4885KDM4C 1429/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MEN1 140/4885KMT2A 897/4885KDM4C 1547/4885

“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.