SCHEMBL6855014

SCHEMBL6855014

O=C(O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.79
MEN1 O00255 7/20 0.79
RAB9A P51151 4/20 0.79
MITF O75030 3/20 0.79
NPC1 O15118 3/20 0.79
POLB P06746 2/20 0.79
TDP1 Q9NUW8 1/20 0.70
P4HTM Q9NXG6 1/20 0.68
MAPT P10636 7/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.65
SRD5A2 P31213 1/20 0.64
ATM Q13315 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.60
CD40 P25942 1/20 0.60
CD40LG P29965 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58

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
SCHEMBL7881346 1.00 KMT2A (0.79) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL7696438 1.00 KMT2A (0.79) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL26695541 0.95 KMT2A (0.72) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL23898948 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL9134339 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL8572381 0.93 KMT2A (0.83) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL16367722 0.88 KMT2A (0.76) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL7881307 0.88 MEN1 (1.00) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL24213121 0.88 KMT2A (0.76) KMT2AMEN1RAB9AMITFNPC1
SCHEMBL3160310 0.88 MEN1 (0.87) KMT2AMEN1RAB9AMITFNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US claimed
CN-115925577-A Novel diamines, polymers and films made therefrom SK新技术株式会社 2023-04-07 CN disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
US-11225503-B2 Crystobactamides Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2022-01-18 US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
EP-3019615-B1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2021-04-07 EP disclosed
CN-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 CN disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 US disclosed
US-20200331964-A1 CYSTOBACTAMIDES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2020-10-22 US disclosed
WO-2006017214-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2006-02-16 WO disclosed
US-6827927-B1 Preparation of racemic mixture of gadolinium complex of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetra(2-glutaric acid); acid refluxing solution containing RRRR and SSSS stereoisomers GUERBET (FR) 2004-12-07 US disclosed
US-6440956-B1 Bicyclic polyaminoacid metal complexes, their process of preparation and their application in medical imaging GUERBET (FR) 2002-08-27 US disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed
US-4001218-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 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 (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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 KMT2A 2115/4885MEN1 2023/4885RAB9A 2399/4885
US-11225503-B2 Crystobactamides PKD2, SLC7A11, CTH KMT2A 1984/4885MEN1 1524/4885RAB9A 2083/4885
US-20200331964-A1 CYSTOBACTAMIDES CTH, SLC7A11, SULT2A1 KMT2A 1108/4885MEN1 1286/4885RAB9A 2133/4885

“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.