SCHEMBL19459308

SCHEMBL19459308

CN(C)C(=O)c1ccc(NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ HTT P42858 2/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ AURKA O14965 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 2/20 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
SCHEMBL1004649 0.83 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTEPHX2
SCHEMBL5013530 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL1782141 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL13123445 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL15124764 0.79 HTT (0.53) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL25124451 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL9479734 0.78 MAPK13 (0.60) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL24164417 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1
SCHEMBL10626283 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDCSNK2A1CYP1A2
SCHEMBL13922750 0.76 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2HPGDHTTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — US disclosed
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — US disclosed
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — US disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 — — US disclosed
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-20 — — US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 — — US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 — — US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 — — US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 — — US disclosed
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-11-06 — — US disclosed
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-19 — — US disclosed
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-19 — — US disclosed
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-19 — — 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 (6 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-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 599/4885SMN1; SMN2 2392/4885HPGD 3761/4885
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, ARSA, ALK ALDH1A1 604/4885SMN1; SMN2 2376/4885HPGD 3770/4885
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 549/4885SMN1; SMN2 2693/4885HPGD 3883/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 ALDH1A1 778/4885SMN1; SMN2 2278/4885HPGD 3946/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 778/4885SMN1; SMN2 2278/4885HPGD 3946/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 1123/4885SMN1; SMN2 2563/4885HPGD 4388/4885

“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.

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