SCHEMBL19635178

SCHEMBL19635178

Cn1nc(COC2CCCCO2)c(Br)c1CO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20521691 0.90 NPC1 (0.32) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL19615379 0.89 KDM4C (0.39) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL21802183 0.81 MEN1 (0.39) MEN1KMT2ARAB9A
SCHEMBL20521946 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL19635898 0.78 TSHR (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29601953 0.78 TSHR (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL24524630 0.76 MEN1 (0.34) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL20522195 0.74 ADORA3 (0.31) KDM4C
SCHEMBL20521904 0.74
SCHEMBL22437573 0.74 KDM4C (0.34) MEN1KMT2AKDM4CNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
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-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
WO-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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 (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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 MEN1 142/4885KMT2A 930/4885KDM4C 1522/4885
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.