SCHEMBL2364159

SCHEMBL2364159

NC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ALDH1A1 P00352 3/20 0.40
HCAR3 P49019 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.37
ALDH3A1 P30838 1/20 0.35
POLB P06746 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CTSD P07339 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PARP1 P09874 1/20 0.34
BCL2L1 Q07817 1/20 0.33
MITF O75030 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL29411996 1.00 MAPT (0.47) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3421607 0.95 ALDH1A1 (0.46) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2970718 0.94 MAPT (0.45) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL17191293 0.88 MAPT (0.41) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL8641417 0.87 ALDH1A1 (0.39) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3582922 0.87 HCAR3 (0.47) MAPTALDH1A1HCAR3KDM4ELMNA
SCHEMBL2970711 0.86 MAPT (0.37) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL8636703 0.86 MAPT (0.50) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL8639061 0.86 MAPT (0.47) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15592235 0.83 MAPT (0.38) MAPTCYP3A4BLMPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287675-A1 TREATMENT FOR CANCER THE UNIVERSITY OF NOTTINGHAM (GB) 2016-10-06 US claimed
EP-1951213-B1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS MORVUS TECHNOLOGY LTD (GB) 2012-11-14 EP claimed
US-5958682-A VIRUS-DIRECTED ENZYME PRODRUG THERAPY FOR TREATING TUMOR CELLS CONSISTING OF A VIRAL VECTOR ENCODING BACTERIAL NITROREDUCTASE CAPABLE OF CONVERTING A PRODRUG INTO A CYTOTOXIC DRUG OPERABLY LINKED TO A PROMOTER; AND THE PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-28 US claimed
EP-0725826-A1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-08-14 EP claimed
WO-1996014420-A1 INDUCIBLE CELL ABLATION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-17 WO claimed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO claimed
EP-2350664-B1 TREATMENT OF CANCER USING THE HYPOXIA ACTIVATED PRODRUG TH-302 IN COMBINATION WITH DOCETAXEL OR PEMETREXED IMMUNOGENESIS INC (US) 2021-05-19 EP disclosed
US-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents MORVUS TECHNOLOGY LIMITED (GB) 2019-09-03 US disclosed
US-10183062-B2 Treatment for cancer THE UNIVERSITY OF NOTTINGHAM (GB) 2019-01-22 US disclosed
US-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof Convert Pharmaceuticals SA (BE) 2018-05-31 US disclosed
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS GORDIAN PHARMA LIMITED (GB) 2018-05-24 US disclosed
US-9907784-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents MORVUS TECHNOLOGY LIMITED (GB) 2018-03-06 US disclosed
US-9873710-B2 Prodrugs and methods of use thereof HEALTH INNOVATION VENTURES B.V. (NL) 2018-01-23 US disclosed
EP-0616609-B1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RES CAMPAIGN TECH (GB) 1997-06-18 EP disclosed
US-5571845-A Nitroaniline derivatives and their use as anti-tumour agents CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-11-05 US disclosed
EP-0725826-A1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-08-14 EP disclosed
WO-1996014420-A1 INDUCIBLE CELL ABLATION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-17 WO disclosed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO disclosed
EP-0616609-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS. CANCER RES CAMPAIGN TECH (GB) 1994-09-28 EP disclosed
WO-1993011099-A1 NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-06-10 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 (3 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-20180148463-A1 Novel Prodrugs And Methods Of Use Thereof AKR1C3, AKR1C2, AKR1B1 MAPT 4319/4885CYP3A4 498/4885BLM 4015/4885
US-10398676-B2 Use of alpha-hydroxy carbonyl compounds as reducing agents DERA, HOGA1, ALDOA MAPT 3157/4885CYP3A4 456/4885BLM 3799/4885
US-20180140575-A1 USE OF ALPHA-HYDROXY CARBONYL COMPOUNDS AS REDUCING AGENTS DERA, HOGA1, ALDOA MAPT 3157/4885CYP3A4 456/4885BLM 3799/4885

“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.