SCHEMBL22954309

SCHEMBL22954309

O=[N+]([O-])c1ccc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n(OC(F)(F)F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.49
▸ LMNA P02545 5/20 0.49
▸ POLB P06746 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ AHR P35869 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22954052 0.77 PLK1 (0.42) LMNAPOLBMEN1KMT2ATDP1
SCHEMBL26231557 0.74 MAPT (0.37) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL14105026 0.73 MEN1 (0.53) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL2420953 0.72 RAB9A (0.68) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL14105126 0.71 RAB9A (0.67) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL26231545 0.71 MAPT (0.37) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL13844372 0.70 RAB9A (0.69) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL22954095 0.70 PLK1 (0.40) LMNAPOLBTDP1CYP2C9CYP2C19
SCHEMBL13959573 0.68 RAB9A (0.76) RAB9ALMNAPOLBMEN1KMT2A
SCHEMBL3969164 0.67 MEN1 (0.50) RAB9ALMNAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — 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 (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-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 RAB9A 3109/4885LMNA 2457/4885POLB 1160/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 RAB9A 3109/4885LMNA 2457/4885POLB 1160/4885

“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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