SCHEMBL19459554

SCHEMBL19459554

O=[N+]([O-])c1ccc(-n2cnc3ccccc32)nc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
HTT P42858 1/20 0.60
FGFR1 P11362 2/20 0.59
MKNK1 Q9BUB5 2/20 0.58
MKNK2 Q9HBH9 2/20 0.58
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
LCK P06239 1/20 0.47

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
SCHEMBL29623800 0.82 FGFR1 (0.62) ALDH1A1HTTFGFR1MKNK1MKNK2
SCHEMBL19350754 0.82 FGFR1 (0.62) ALDH1A1HTTFGFR1MKNK1MKNK2
SCHEMBL3834819 0.81 FGFR1 (0.72) ALDH1A1HTTFGFR1MAPT
SCHEMBL27946919 0.77 MEN1 (0.50) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL17681658 0.76 ALDH1A1 (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL28167261 0.75 HTT (0.62) HTTFGFR1POLBMAPTRAB9A
SCHEMBL18803648 0.75 MKNK1 (1.00) MKNK1MKNK2LCK
SCHEMBL29449347 0.74 FGFR1 (1.00) ALDH1A1HTTFGFR1MAPTLMNA
SCHEMBL2308773 0.74 FGFR1 (1.00) ALDH1A1HTTFGFR1MAPTLMNA
SCHEMBL20603971 0.74 POLB (0.60) HTTFGFR1MKNK1MKNK2POLB

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 9 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-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-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 599/4885HTT 212/4885FGFR1 114/4885
US-10118890-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, ARSA, ALK ALDH1A1 604/4885HTT 207/4885FGFR1 111/4885
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 549/4885HTT 213/4885FGFR1 124/4885
US-20200262784-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, AFF2, AFF4 ALDH1A1 778/4885HTT 170/4885FGFR1 96/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 778/4885HTT 170/4885FGFR1 96/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 1123/4885HTT 213/4885FGFR1 226/4885

“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.