SCHEMBL542228

SCHEMBL542228

CC1(c2ccc([N+](=O)[O-])cc2)NC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
MMP8 P22894 1/20 0.47
AKR1B1 P15121 2/20 0.46
TNKS O95271 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CRBN Q96SW2 1/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
METAP1 P53582 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6473838 1.00 KDM4E (0.48) KDM4EMEN1KMT2ALMNAMMP8
SCHEMBL6473834 1.00 KDM4E (0.48) KDM4EMEN1KMT2ALMNAMMP8
SCHEMBL27233049 0.81 ALDH1A1 (0.56) KDM4EMEN1KMT2ALMNAMMP8
SCHEMBL542561 0.78 LMNA (0.53) MEN1KMT2ALMNAAKR1B1TNKS
SCHEMBL20134878 0.78 LMNA (0.53) MEN1KMT2ALMNAAKR1B1TNKS
SCHEMBL7102532 0.77 LMNA (0.47) LMNAAKR1B1
SCHEMBL6135313 0.77 LMNA (0.51) MEN1KMT2ALMNAAKR1B1TNKS
SCHEMBL17054772 0.77 MEN1 (0.55) MEN1KMT2ALMNATNKSMMP2
SCHEMBL17570773 0.77 LMNA (0.51) MEN1KMT2ALMNAAKR1B1TNKS
SCHEMBL204119 0.77 LMNA (0.51) MEN1KMT2ALMNAAKR1B1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4651872-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-11-26 EP disclosed
WO-2024155601-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-07-25 WO disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP disclosed
US-6838439-B2 Heterocytes as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-04 US disclosed
EP-0842945-B1 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AG (DE) 2003-02-19 EP disclosed
US-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-30 US disclosed
US-6191282-B1 DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT HOECHST MARION ROUSSEL (DE) 2001-02-20 US disclosed
US-5981492-A ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES HOECHST AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
EP-0842945-A2 Heterocycles as inhibitors of leukocyte adhesion and as antagonists of VLA-4 HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
EP-0729460-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-04 EP disclosed
WO-1995014008-A1 SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-26 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-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, ICAM1, ITGB4 KDM4E 2308/4885MEN1 3726/4885KMT2A 2036/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885MEN1 2491/4885KMT2A 206/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR KDM4E 4240/4885MEN1 3823/4885KMT2A 2383/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885MEN1 2491/4885KMT2A 206/4885

“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.