SCHEMBL505380

SCHEMBL505380

Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 5/20 0.49
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DTYMK P23919 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
FBP1 P09467 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40
TTR P02766 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL630835 0.86 ALDH1A1 (0.68) ALDH1A1LMNACYP3A4TTR
SCHEMBL9423000 0.84 DTYMK (0.44) ALDH1A1CYP3A4DTYMKAKR1C4AKR1C3
SCHEMBL1494608 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4ALOX15TDP1DTYMK
SCHEMBL2912091 0.81 ALDH1A1 (0.50) ALDH1A1LMNACYP3A4ALOX15TDP1
SCHEMBL505205 0.81 TDP1 (0.47) ALDH1A1LMNATDP1HPGD
SCHEMBL505760 0.81 GPR35 (0.52) ALDH1A1LMNACYP3A4ALOX15TDP1
SCHEMBL31259824 0.81 CA1 (0.49) ALDH1A1CYP3A4TDP1DTYMKAKR1C4
SCHEMBL5110264 0.81 AKR1C4 (0.56) ALDH1A1LMNATDP1DTYMKAKR1C4
SCHEMBL3888136 0.81 ALDH1A1 (0.75) ALDH1A1LMNACYP3A4ALOX15TDP1
Allisan SCHEMBL9328474 0.79 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922430-B 2-substituted benzimidazole-4-formamide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-04 CN disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
US-9643933-B2 Compounds useful as antibiotic tolerance inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2017-05-09 US disclosed
CN-106317069-A 2-substituted-benzimidazole-4-formamide compound, preparation method, and application thereof 中国科学院上海药物研究所 2017-01-11 CN disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-25 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 US disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 WO disclosed
EP-1240148-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II Xenova Limited (GB) 2002-09-18 EP disclosed
WO-2001046157-A1 BENZO[A]PHENAZIN-11-CARBOXAMIDE DERIVATIVES AND THEIR USE AS JOINT INHIBITORS OF TOPOMERASE I AND II XENOVA LIMITED (GB) 2001-06-28 WO disclosed
WO-1998045272-A1 TOPOISOMERASE INHIBITORS LATROBE UNIVERSITY (AU) 1998-10-15 WO disclosed
US-3931303-A Process for preparing 5-halo-2,3-phenylenediamine-1-carboxylic acid GAF CORPORATION (US) 1976-01-06 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A ALDH1A1 3766/4885LMNA 3298/4885CYP3A4 165/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B ALDH1A1 2334/4885LMNA 1336/4885CYP3A4 108/4885
US-20160052890-A1 COMPOUNDS USEFUL AS ANTIBIOTIC TOLERANCE INHIBITORS CFTR, SLC11A2, MRPS18A ALDH1A1 2988/4885LMNA 4827/4885CYP3A4 2722/4885
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 ALDH1A1 390/4885LMNA 2814/4885CYP3A4 34/4885

“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.