SCHEMBL19635706

SCHEMBL19635706

CCOC(=O)c1nn2c(c1Br)COCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.38
PIK3CA P42336 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
TARBP2 Q15633 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL23645427 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1TSHRPIK3CA
SCHEMBL3798240 0.80 PDE3B (0.39) ALDH1A1KDM4ETSHRSMN1; SMN2MAPT
SCHEMBL3801455 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL24194885 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EL3MBTL1PIK3CASMN1; SMN2
SCHEMBL26969083 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL25986000 0.75 ATM (0.37) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL31737069 0.74 MAPT (0.34) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL21315230 0.74 MAPT (0.34) ALDH1A1KDM4ESMN1; SMN2RAB9AALOX15
SCHEMBL19284265 0.74 PDE4B (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL21315407 0.72 KCNK3 (0.33) KDM4ETSHRSMN1; SMN2MAPK1MEN1

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 17 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-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-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 US disclosed
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 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
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 US disclosed
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 US 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
CN-111867584-A Ethylenediamine-heterocyclic derivatives as inhibitors of protein arginine methyltransferase 德州大学系统董事会 2020-10-30 CN disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
US-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNITED STATES GOVERNMENT 2019-09-05 US disclosed
US-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNITED STATES GOVERNMENT 2019-09-05 US 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 (7 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-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT5, PRMT3 ALDH1A1 1831/4885KDM4E 78/4885L3MBTL1 657/4885
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 ALDH1A1 1831/4885KDM4E 78/4885L3MBTL1 657/4885
US-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 ALDH1A1 1451/4885KDM4E 2131/4885L3MBTL1 907/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885KDM4E 1858/4885L3MBTL1 1260/4885
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 ALDH1A1 1831/4885KDM4E 78/4885L3MBTL1 657/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885KDM4E 2044/4885L3MBTL1 882/4885
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT5, PRMT3 ALDH1A1 1831/4885KDM4E 78/4885L3MBTL1 657/4885

“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.