SCHEMBL4557828

SCHEMBL4557828

NCCCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 8/20 0.64
▸ POLB P06746 3/20 0.59
▸ PRSS1 P07477 3/20 0.58
▸ MAPT P10636 3/20 0.57
▸ PKM P14618 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ DHFR P00374 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL30413993 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL2228171 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL17923845 1.00 KAT2B (0.64) KAT2BPOLBPRSS1MAPTPKM
Hydrochloric Acid SCHEMBL4699216 0.99 KAT2B (0.65) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL2228520 0.99 KAT2B (0.66) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL10622798 0.94 KAT2B (0.72) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL1344180 0.93 KAT2B (0.60) KAT2BPOLBPRSS1MAPTPKM
Hydrochloric Acid SCHEMBL21273381 0.92 KAT2B (0.61) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL29375013 0.88 KAT2B (0.58) KAT2BPOLBPRSS1MAPTPKM
SCHEMBL502704 0.88 KAT2B (0.58) KAT2BPOLBPRSS1MAPTPKM

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
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 — — US disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 — — US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 — — US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 — — US disclosed
EP-4011396-A1 RELEASABLE CONJUGATES QuiaPEG Pharmaceuticals AB (SE) 2022-06-15 — — EP disclosed
EP-3592393-B1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2021-12-01 — — EP disclosed
CN-110545850-A Releasable conjugates QUIAPEG PHARMACEUTICALS AB 2019-12-06 — — CN disclosed
US-20180360974-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2018-12-20 — — US disclosed
WO-2018163131-A1 RELEASABLE CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2018-09-13 — — WO disclosed
EP-2056758-A2 EPOXY-CONTAINING POLY(ESTER AMIDES) AND METHODS OF USE Medivas, LLC (US) 2009-05-13 — — EP disclosed
US-20080050419-A1 Epoxy-containing poly(ester amides) and method of use MEDIVAS, LLC (US) 2008-02-28 — — US disclosed
WO-2008021548-A2 EPOXY-CONTAINING POLY(ESTER AMIDES) AND METHODS OF USE MEDIVAS, LLC (US) 2008-02-21 — — WO disclosed
US-5258507-A FOR IN SITU DETECTION OF NUCLEIC ACID SEQUENCES AMOCO CORPORATION (US) 1993-11-02 — — US disclosed
EP-0485155-A1 Novel labeling reagents useful for the chemical attachment of nitrophenyl derivative ligands to DNA probes AMOCO CORPORATION (US) 1992-05-13 — — EP disclosed
US-4100028-A Method for purification of proteolytic enzymes STEPANOV VALENTIN MIKHAILOVICH 1978-07-11 — — 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 (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-20180360974-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 KAT2B 1285/4885POLB 1863/4885PRSS1 1498/4885
US-20080050419-A1 Epoxy-containing poly(ester amides) and method of use EPHX2, JMJD6, CAD KAT2B 1184/4885POLB 4474/4885PRSS1 3322/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 KAT2B 1285/4885POLB 1863/4885PRSS1 1498/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 KAT2B 1285/4885POLB 1863/4885PRSS1 1498/4885

“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.

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