SCHEMBL2017838

SCHEMBL2017838

O=c1oc2ccccc2c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.67
MAPT P10636 10/20 0.61
ALDH1A1 P00352 8/20 0.58
HTT P42858 4/20 0.58
PKM P14618 2/20 0.58
KMT2A Q03164 4/20 0.56
GAA P10253 3/20 0.56
GPR55 Q9Y2T6 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL30272141 1.00 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL3680356 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL17844954 0.80 LMNA (1.00) LMNAMAPTALDH1A1HTTPKM
SCHEMBL21645618 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL5138522 0.80 LMNA (0.67) LMNAMAPTALDH1A1HTTPKM
SCHEMBL28271364 0.77 MAPT (0.49) LMNAMAPTALDH1A1HTTPKM
SCHEMBL3680354 0.77 LMNA (0.62) LMNAMAPTALDH1A1HTTPKM
SCHEMBL10615652 0.76 MAPT (1.00) LMNAMAPTALDH1A1HTTPKM
SCHEMBL2540914 0.76 ALDH1A1 (0.53) LMNAMAPTALDH1A1HTTKMT2A
SCHEMBL18153335 0.74 LMNA (0.59) LMNAMAPTALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
US-12486293-B2 Chirality sensing with molecular click chemistry probes GEORGETOWN UNIVERSITY (US) 2025-12-02 US disclosed
US-20240092800-A1 USP13 INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2024-03-21 US disclosed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO disclosed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO disclosed
US-20220380395-A1 CHIRALITY SENSING WITH MOLECULAR CLICK CHEMISTRY PROBES GEORGETOWN UNIVERSITY 2022-12-01 US disclosed
EP-1807440-B1 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIV KANSAS (US) 2020-02-19 EP disclosed
WO-2020028396-A1 CHIRALITY SENSING WITH MOLECULAR CLICK CHEMISTRY PROBES GEORGETOWN UNIVERSITY (US) 2020-02-06 WO disclosed
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
EP-2049511-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY Novabiotics Limited (GB) 2009-04-22 EP disclosed
WO-2007141513-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2007-12-13 WO disclosed
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-22 US disclosed
EP-1807440-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS The University of Kansas (US) 2007-07-18 EP disclosed
US-20060199776-A1 Novobiocin analogues as anticancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-07 US disclosed
WO-2006050501-A2 NOVOBIOCIN ANALOGUES AS ANTICANCER AGENTS UNIVERSITY OF KANSAS (US) 2006-05-11 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 (8 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-20220380395-A1 CHIRALITY SENSING WITH MOLECULAR CLICK CHEMISTRY PROBES PTMS, NISCH, CHAMP1 LMNA 2928/4885MAPT 4815/4885ALDH1A1 1668/4885
US-20240092800-A1 USP13 INHIBITORS AND METHODS OF USE THEREOF USP13, USP3, USP1 LMNA 2192/4885MAPT 290/4885ALDH1A1 2241/4885
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P LMNA 4561/4885MAPT 1221/4885ALDH1A1 3407/4885
US-20070270452-A1 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders SSB, IAPP, NLN LMNA 1526/4885MAPT 272/4885ALDH1A1 4309/4885
US-20060199776-A1 Novobiocin analogues as anticancer agents HSP90B1, HSP90AB2P, HSP90AB1 LMNA 2952/4885MAPT 1100/4885ALDH1A1 2718/4885
US-12486293-B2 Chirality sensing with molecular click chemistry probes PTMS, NISCH, CHAMP1 LMNA 2928/4885MAPT 4815/4885ALDH1A1 1668/4885
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A LMNA 3890/4885MAPT 2263/4885ALDH1A1 4832/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD LMNA 1560/4885MAPT 342/4885ALDH1A1 4519/4885

“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.