SCHEMBL3042800

SCHEMBL3042800

O=Cc1cc(Br)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2A6 P11509 7/20 0.40
MCL1 Q07820 1/20 0.39
ACP1 P24666 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
IMPDH2 P12268 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
PTPN1 P18031 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL5253273 0.80 CYP2A6 (0.40) ERN1MEN1KMT2ALMNATDP1
SCHEMBL2046730 0.80 CYP2A6 (0.40) MEN1KMT2ATDP1CYP2A6ACP1
SCHEMBL3892474 0.78 ERN1 (0.50) ERN1MEN1KMT2ALMNATHRB
SCHEMBL3676494 0.78 ERN1 (0.45) ERN1MEN1KMT2ALMNATHRB
SCHEMBL31141573 0.78 ERN1 (0.45) ERN1MEN1KMT2ALMNATHRB
SCHEMBL2996328 0.78 ERN1 (0.45) ERN1MEN1KMT2ALMNATHRB
SCHEMBL29953557 0.78 ERN1 (0.45) ERN1MEN1KMT2ALMNATHRB
SCHEMBL29388348 0.77 ERN1 (0.51) ERN1MEN1KMT2ALMNATHRB
SCHEMBL419485 0.77 ERN1 (0.51) ERN1MEN1KMT2ALMNATHRB
SCHEMBL3268303 0.76 NQO2 (0.55) ERN1MEN1KMT2ALMNATHRB

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317733-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-09-26 US disclosed
WO-2024107783-A2 NOVEL MACROCYCLIC CHALCONE-AMIDE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-05-23 WO disclosed
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-06-17 US disclosed
US-10968213-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-06 US disclosed
US-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-10-17 US disclosed
US-10414761-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-17 US disclosed
US-10053456-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-21 US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 US disclosed
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-06-14 US disclosed
US-9920047-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-20 US disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 WO disclosed
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
CN-1151148-C farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LGCI��ʽ���� 2004-05-26 CN disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP disclosed
CN-1346353-A farnesyl transferase inhibitor with pyrrole structure and preparation method thereof LG CHEMICAL LTD (KR) 2002-04-24 CN disclosed
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 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 (8 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-20190315735-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885
US-20180162853-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885
US-10053456-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885
US-20210179603-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885
US-20240317733-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF KDM1A, KDM1B, KDM2A ERN1 2154/4885MEN1 1729/4885KMT2A 5/4885
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 ERN1 3505/4885MEN1 1813/4885KMT2A 3892/4885
US-10968213-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885
US-10414761-B2 Cyclopropanamine compound and use thereof KDM1A, KDM1B, KDM2A ERN1 2104/4885MEN1 1645/4885KMT2A 5/4885

“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.