SCHEMBL1694362

SCHEMBL1694362

CC(NC(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 3/20 0.54
TSHR P16473 3/20 0.51
GLA P06280 1/20 0.47
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL20592102 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGLAHSD17B10
SCHEMBL18804485 0.87 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRGLAHSD17B10
SCHEMBL3827186 0.86 MAPK1 (0.51) ALDH1A1CYP1A2POLBTDP1L3MBTL1
SCHEMBL6294901 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRGLAPOLB
SCHEMBL20164163 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRGLAPOLB
SCHEMBL20164165 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRGLAPOLB
SCHEMBL1694525 0.81 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRHSD17B10POLB
SCHEMBL1694522 0.81 CYP1A2 (0.54) ALDH1A1CYP1A2TSHRHSD17B10POLB
SCHEMBL6682207 0.80 ALDH1A1 (0.52) ALDH1A1CYP1A2TSHRPOLBMEN1
SCHEMBL2431833 0.78 CYP1A2 (0.63) ALDH1A1CYP1A2TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
CN-110621678-B Antitumor compounds 法马马有限公司 2024-09-20 CN disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
US-20220056021-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2022-02-24 US disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
US-9428524-B2 Synthetic process for the manufacture of ecteinascidin compounds PHARMA MAR, S.A. (ES) 2016-08-30 US 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
WO-2010149688-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2010-12-29 WO 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 (5 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 ALDH1A1 3310/4885CYP1A2 969/4885TSHR 864/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B ALDH1A1 319/4885CYP1A2 905/4885TSHR 3807/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B ALDH1A1 319/4885CYP1A2 905/4885TSHR 3807/4885
US-20220056021-A1 ANTICANCER COMPOUNDS TP53, MCL1, MYC ALDH1A1 796/4885CYP1A2 1941/4885TSHR 4635/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC ALDH1A1 795/4885CYP1A2 1940/4885TSHR 4635/4885

“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.