SCHEMBL328459

SCHEMBL328459

O=C1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 3/20 0.56
HPN P05981 1/20 0.55
SCN2A Q99250 1/20 0.53
LMNA P02545 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
BCL2A1 Q16548 1/20 0.48

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
SCHEMBL15272176 0.85 MAPT (0.66) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL533010 0.85 MAPT (0.66) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL2648360 0.83 MAPT (0.64) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL20557972 0.83 MAPT (0.64) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL2627249 0.83 MAPT (0.69) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL27988326 0.82 MAPT (0.62) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL2717024 0.81 MAPT (0.66) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL519878 0.81 HTR1A (0.72) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL1203455 0.81 SIRT6 (0.66) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL14140324 0.81 MEN1 (0.60) KMT2AMAPTMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539849-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20250121070-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2025-04-17 US disclosed
WO-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US 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 (3 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 KMT2A 103/4885MAPT 3116/4885MEN1 724/4885
US-20250121070-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 SMARCA2, SMARCE1, SMARCA1 KMT2A 612/4885MAPT 4487/4885MEN1 725/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 KMT2A 103/4885MAPT 3116/4885MEN1 724/4885

“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.