SCHEMBL9952026

SCHEMBL9952026

CCOC(=O)Cc1cc(Br)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
JAK2 O60674 1/20 0.40
PAK4 O96013 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL30163570 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30060989 0.85 LMNA (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16737338 0.85 CYP4F2 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL19915712 0.84 MAPT (0.46) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31252708 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL3548646 0.84 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15709888 0.84 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL31604246 0.81 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7763579 0.81 CDC7 (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15709664 0.81 NOS1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 US disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 EP disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 CN disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 US disclosed
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2023-07-20 US disclosed
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION BIOMEA FUSION, INC. 2023-07-20 US disclosed
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction BIOMEA FUSION, LLC (US) 2023-07-18 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
EP-2582698-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE Vitae Pharmaceuticals, Inc. (US) 2013-04-24 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 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 (6 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-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 MEN1 3015/4885KMT2A 2511/4885ALDH1A1 228/4885
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 MEN1 2834/4885KMT2A 4372/4885ALDH1A1 2993/4885
US-20230227458-A1 IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 MEN1 2/4885KMT2A 12/4885ALDH1A1 4440/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 MEN1 4246/4885KMT2A 4446/4885ALDH1A1 1137/4885
US-11702421-B2 Substituted pyridines as irreversible inhibitors of menin-MLL interaction MLLT1, MEN1, MLLT3 MEN1 2/4885KMT2A 27/4885ALDH1A1 4225/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 MEN1 4328/4885KMT2A 3259/4885ALDH1A1 1472/4885

“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.