SCHEMBL3801455

SCHEMBL3801455

CCOC(=O)c1nn2c(c1Br)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPK1 P28482 5/20 0.40
GAA P10253 3/20 0.39
ALOX15 P16050 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36

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
SCHEMBL3798240 0.96 PDE3B (0.39) ALDH1A1MAPK1GAAPDE3BPDE3A
SCHEMBL3390958 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL31066375 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL31737069 0.82 MAPT (0.34) ALDH1A1MAPK1ALOX15MAPTMEN1
SCHEMBL29777591 0.81 MAPK1 (0.40) ALDH1A1MAPK1GAAPDE3BPDE3A
SCHEMBL3387081 0.79 MAPT (0.40) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL3799255 0.79 PDE3B (0.39) ALDH1A1MAPK1GAAPDE3BPDE3A
SCHEMBL19635706 0.78 ALDH1A1 (0.39) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL26969083 0.77 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL25986000 0.77 ATM (0.37) ALDH1A1MAPK1GAAALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN 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-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 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 (4 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-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 ALDH1A1 1831/4885MAPK1 1560/4885GAA 4270/4885
US-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 ALDH1A1 1451/4885MAPK1 2683/4885GAA 3918/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885MAPK1 2106/4885GAA 4215/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885MAPK1 2608/4885GAA 4042/4885

“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.