SCHEMBL1694751

SCHEMBL1694751

NS.O=[N+]([O-])c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 7/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
TSHR P16473 1/20 0.45
CYP2A6 P11509 1/20 0.45
TGM2 P21980 1/20 0.44
VCP P55072 1/20 0.44

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
SCHEMBL38181 0.94
SCHEMBL29463713 0.94
SCHEMBL28168759 0.92 LMNA (0.56) LMNAHTTALDH1A1MEN1KMT2A
Methylamine SCHEMBL10683872 0.92 LMNA (0.56) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL27759469 0.92 LMNA (0.59) LMNAHTTALDH1A1MEN1KMT2A
Methane SCHEMBL27809994 0.92 LMNA (0.59) LMNAHTTALDH1A1MEN1KMT2A
Formaldehyde SCHEMBL27348283 0.90 LMNA (0.57) LMNAHTTALDH1A1MEN1KMT2A
Formaldehyde SCHEMBL27970039 0.90 LMNA (0.57) LMNAHTTALDH1A1MEN1KMT2A
Ethylene SCHEMBL27728655 0.90 LMNA (0.57) LMNAHTTALDH1A1MEN1KMT2A
Pyridine SCHEMBL8405328 0.88 LMNA (0.56) LMNAHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 EP disclosed
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 US disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
WO-2023067132-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2023-04-27 WO disclosed
EP-2792683-A1 Compounds potentiating the activity of antifungal drugs Fundacion MEDINA. Centro de Excelencia en Investigacion de Medicamentos Innovadores en Andalucia (ES) 2014-10-22 EP disclosed
US-8748388-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-06-10 US disclosed
EP-2576569-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS Pharma Mar S.A. (ES) 2013-04-10 EP disclosed
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds PHARMA MAR, S.A. (ES) 2013-03-14 US disclosed
EP-2231695-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-02-13 EP disclosed
WO-2011147828-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2011-12-01 WO disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 US disclosed
EP-2231695-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2010-09-29 EP disclosed
WO-2009077401-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-06-25 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-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds SERPINH1, ERLIN2, PTMA LMNA 930/4885HTT 950/4885ALDH1A1 3310/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B LMNA 3075/4885HTT 2710/4885ALDH1A1 319/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL LMNA 1254/4885HTT 827/4885ALDH1A1 785/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B LMNA 3075/4885HTT 2710/4885ALDH1A1 319/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 LMNA 1898/4885HTT 3353/4885ALDH1A1 144/4885
US-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 LMNA 1898/4885HTT 3353/4885ALDH1A1 144/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 LMNA 3861/4885HTT 3417/4885ALDH1A1 162/4885

“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.