SCHEMBL520043

SCHEMBL520043

CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
PDK1 Q15118 1/20 0.64
PDK2 Q15119 1/20 0.64
PDK3 Q15120 1/20 0.64
PDK4 Q16654 1/20 0.64
POLB P06746 2/20 0.60
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
RORC P51449 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
SCHEMBL30641927 1.00 KMT2A (0.66) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL8930598 0.87 MAPT (0.63) KMT2AMEN1ALDH1A1MAPTRAB9A
SCHEMBL26727168 0.85 KMT2A (0.71) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL1815770 0.84 PKM (0.65) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL7130662 0.84 RORC (0.73) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL27910937 0.84 KMT2A (0.63) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL4969610 0.83 PDK1 (0.76) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL4326710 0.82 SMN1; SMN2 (0.58) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL427418 0.82 HTT (0.67) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL915213 0.82 MEN1 (0.64) KMT2AMEN1POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-12-12 US disclosed
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2024-10-17 US disclosed
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
US-12098117-B2 Compositions and methods for the treatment of cancer DUKE UNIVERSITY (US) 2024-09-24 US disclosed
EP-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2022-04-07 US disclosed
EP-3894392-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Duke University (US) 2021-10-20 EP disclosed
EP-0250099-B1 ORGANIC NONLINEAR OPTICAL MATERIAL TORAY INDUSTRIES, INC. (JP) 1993-01-27 EP disclosed
EP-0517871-A1 NOVEL NITROANILIDES AND THEIR PREPARATION. KODAK LTD (GB) 1992-12-16 EP disclosed
US-5169986-A Benzylidene-aniline derivative; laser resistance, durability TORAY INDUSTRIES, INC. (JP) 1992-12-08 US disclosed
WO-1992011230-A1 NOVEL NITROANILIDES AND THEIR PREPARATION KODAK LIMITED (GB) 1992-07-09 WO disclosed
EP-0286021-B1 REACTIVE AZO DYES BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
US-4987255-A EXCELLENT RESISTANCE TO LASER DAMAGE TORAY INDUSTRIES, INC. (JP) 1991-01-22 US disclosed
US-4897469-A Aniline series azo reactive dyes ortho- or para-substituted by vinyl sulfonyl reactive groups BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0286021-A2 Reactive azo dyes BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed
EP-0250099-A2 Organic nonlinear optical material TORAY INDUSTRIES, INC. (JP) 1987-12-23 EP 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 (5 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-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 KMT2A 3139/4885MEN1 4220/4885PDK1 258/4885
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD KMT2A 2552/4885MEN1 1415/4885PDK1 237/4885
US-12098117-B2 Compositions and methods for the treatment of cancer HSF1, HSP90AB1, HSP90AA1 KMT2A 3139/4885MEN1 4220/4885PDK1 258/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 KMT2A 3139/4885MEN1 4220/4885PDK1 258/4885
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 KMT2A 3139/4885MEN1 4220/4885PDK1 258/4885

“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.