SCHEMBL7823977

SCHEMBL7823977

CC(C)(C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 5/20 0.53
HSPB1 P04792 3/20 0.53
TDP1 Q9NUW8 3/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GPR35 Q9HC97 1/20 0.49
HIF1A Q16665 1/20 0.49
TTR P02766 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47

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
SCHEMBL3811768 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL15858815 0.83 TSHR (0.56) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL30062398 0.83 HSPB1 (0.56) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL397137 0.83 HSPB1 (0.56) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL14477748 0.83 HSD17B10 (0.56) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL16878869 0.82 HSPB1 (0.51) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL1135919 0.81 HSPB1 (0.50) ALDH1A1HSPB1TDP1
SCHEMBL20328418 0.80 TDP1 (0.66) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL397931 0.80 TDP1 (0.66) KMT2AALDH1A1MEN1MAPTHSPB1
SCHEMBL20328412 0.80 TDP1 (0.66) KMT2AALDH1A1MEN1MAPTHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 US disclosed
US-11116849-B2 Hydrogel-linked prodrugs releasing tagged drugs ASCENDIS PHARMA A/S (DK) 2021-09-14 US disclosed
US-10980860-B2 Diagnosis, prevention and treatment of diseases of the joint ASCENDIS PHARMA A/S (DK) 2021-04-20 US disclosed
US-10653795-B2 2020-05-19 US disclosed
US-20190262426-A1 Hydrogel-Linked IL-1ra Prodrug ASCENDIS PHARMA A/S (DK) 2019-08-29 US disclosed
US-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker ASCENDIS PHARMA A/S (DK) 2017-08-10 US disclosed
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2017-04-27 US disclosed
US-20160296600-A1 Relaxin Prodrugs ASCENDIS PHARMA RELAXIN DIVISION A/S (DK) 2016-10-13 US disclosed
US-20160089446-A1 Modified Hydrogels ASCENDIS PHARMA A/S (DK) 2016-03-31 US disclosed
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs ASCENDIS PHARMA A/S (DK) 2016-03-24 US disclosed
US-20150297740-A1 VEGF Neutralizing Prodrugs for the Treatment of Ocular Conditions ASCENDIS PHARMA INC. 2015-10-22 US disclosed
US-20150290337-A1 DIAGNOSIS, PREVENTION AND TREATMENT OF DISEASES OF THE JOINT ASCENDIS PHARMA INC. 2015-10-15 US disclosed
US-20150258205-A1 Hydrogel Prodrugs ASCENDIS PHARMA GMBH (DE) 2015-09-17 US disclosed
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS Ascendis Pharma Ophthamology Division A/S (DK) 2015-01-08 US disclosed
US-20140323402-A1 Protein Carrier-Linked Prodrugs Ascendis Phama A/S (DK) 2014-10-30 US disclosed
EP-1097918-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED-2-NITRO-FLUOROBENZENES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-09 EP 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 (15 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-20160089446-A1 Modified Hydrogels CD44, DNPH1, PHYKPL KMT2A 3268/4885ALDH1A1 229/4885MEN1 4613/4885
US-20170112939-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA KMT2A 4600/4885ALDH1A1 239/4885MEN1 3163/4885
US-20150290337-A1 DIAGNOSIS, PREVENTION AND TREATMENT OF DISEASES OF THE JOINT ADAMTS13, ADAMTS5, TNF KMT2A 3995/4885ALDH1A1 712/4885MEN1 1619/4885
US-20160296600-A1 Relaxin Prodrugs RXFP1, RXFP2, RXFP3 KMT2A 3675/4885ALDH1A1 3629/4885MEN1 202/4885
US-20170224829-A1 Prodrugs Comprising an Aminoalkyl Glycine Linker DNPEP, PAM, ASNS KMT2A 1454/4885ALDH1A1 725/4885MEN1 1880/4885
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP KMT2A 2943/4885ALDH1A1 4667/4885MEN1 1182/4885
US-10980860-B2 Diagnosis, prevention and treatment of diseases of the joint TNF, ADAMTS5, ADAMTS1 KMT2A 3627/4885ALDH1A1 631/4885MEN1 1495/4885
US-10653795-B2 PTMS, MSN, CD44 KMT2A 3217/4885ALDH1A1 219/4885MEN1 3272/4885
US-20150258205-A1 Hydrogel Prodrugs CD44, DNPH1, PHYKPL KMT2A 3156/4885ALDH1A1 282/4885MEN1 3605/4885
US-20140323402-A1 Protein Carrier-Linked Prodrugs SLC6A7, PRAP1, PELP1 KMT2A 4580/4885ALDH1A1 3956/4885MEN1 3669/4885
US-20190262426-A1 Hydrogel-Linked IL-1ra Prodrug IL1A, IL1R1, IL1B KMT2A 2894/4885ALDH1A1 87/4885MEN1 3789/4885
US-20160082123-A1 Hydrogel-Linked Prodrugs Releasing Tagged Drugs PTMS, PGLS, PAM KMT2A 2556/4885ALDH1A1 193/4885MEN1 3497/4885
US-11116849-B2 Hydrogel-linked prodrugs releasing tagged drugs PTMS, PGLS, PAM KMT2A 2556/4885ALDH1A1 193/4885MEN1 3497/4885
US-20150010634-A1 PREVENTION AND TREATMENT OF OCULAR CONDITIONS PDE6C, ALDH1A2, UACA KMT2A 4600/4885ALDH1A1 239/4885MEN1 3163/4885
US-20150297740-A1 VEGF Neutralizing Prodrugs for the Treatment of Ocular Conditions VEGFA, KDR, FLT1 KMT2A 4574/4885ALDH1A1 805/4885MEN1 2904/4885

“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.