SCHEMBL17625083

SCHEMBL17625083

C[C@@H](COc1cc(F)c(CBr)c(F)c1)COC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP14 Q460N5 1/20 0.32
P2RX3 P56373 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17624771 0.89 MEN1 (0.36) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17607014 0.82 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6791247 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7111388 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6120490 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL27496485 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL7111393 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL3407785 0.73 MEN1 (0.33) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL17606882 0.71 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL13752871 0.70 MEN1 (0.41) MEN1KMT2AKDM4CL3MBTL1NPC1

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-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2016042084-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 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-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BUB1, BUB1B, BUB3 MEN1 933/4885KMT2A 2316/4885KDM4C 2553/4885
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BUB1, BUB1B, BUB3 MEN1 933/4885KMT2A 2316/4885KDM4C 2553/4885

“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.