SCHEMBL8484182

SCHEMBL8484182

O=Cc1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 1/20 0.52
GPR35 Q9HC97 1/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
CYP19A1 P11511 1/20 0.44
VCAM1 P19320 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.41
ERN1 O75460 1/20 0.40
HTT P42858 1/20 0.39
PDE7A Q13946 1/20 0.39

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
SCHEMBL29955752 0.82 KMT2A (0.47) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL3644484 0.78 ALDH1A1 (0.67) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL635165 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL2824579 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL20377757 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL1301289 0.75 GPR35 (0.61) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL10645207 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL9427988 0.75 ALDH1A1 (0.70) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL1517106 0.75 ALDH1A1 (0.70) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL21068952 0.74 CYP19A1 (0.44) ALDH1A1HSD17B10GPR35KMT2AMEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535397-B Stable organic light-emitting free radical polymer and OLED (organic light-emitting diode) device based on same 吉林大学 2021-04-27 CN disclosed
EP-2964633-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-04-19 EP disclosed
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
EP-2964633-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 US disclosed
WO-2014135471-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
US-5969155-A Conversion of trinitrotoluene into high value compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1999-10-19 US disclosed
US-4968847-A INTERMEDIATES FOR INSECTICIDES ISTITUTO GUIDO DONEGANI S.P.A. (IT) 1990-11-06 US disclosed
US-4929772-A CHLORO, FLUORO CARBINOL, INTERMEDIATES FOR INSECTICIDES ISTITUTO GUIDO DONEGANI (IT) 1990-05-29 US disclosed
US-4602041-A TREATMENT OF DIARRHEA BEECHAM GROUP P.L.C. (GB) 1986-07-22 US disclosed
EP-0187674-A2 Process for the preparation of polyhalogenated carbinols ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1986-07-16 EP disclosed
EP-0087218-B1 GUANIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1985-05-02 EP disclosed
EP-0087218-A1 Guanidine derivatives BEECHAM GROUP PLC (GB) 1983-08-31 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 (2 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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 190/4885HSD17B10 1495/4885GPR35 4007/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 190/4885HSD17B10 1495/4885GPR35 4007/4885

“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.