SCHEMBL26231539

SCHEMBL26231539

Cc1cc([N+](=O)[O-])c2nnn(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.44
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36

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
SCHEMBL3279016 0.83 MAPT (0.50) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL26231896 0.76 GPR35 (0.37) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL11593131 0.75 TDP1 (0.44) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL26231986 0.74 GPR35 (0.44) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL16259899 0.73 BRD2 (0.36) TSHRMAPTLMNAKDM4EBRD4
SCHEMBL30860915 0.71 CREBBP (0.47) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL27647530 0.71 NSD2 (0.44) TSHRCYP3A4MAPTALDH1A1TDP1
SCHEMBL27227845 0.71 CREBBP (0.47) GPR35TSHRCYP3A4MAPTALDH1A1
SCHEMBL22425913 0.70 GRM2 (0.37) TSHRMAPTLMNAKDM4EBRD4
SCHEMBL26231537 0.67 ALDH1A1 (0.43) TSHRCYP3A4MAPTALDH1A1L3MBTL1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 GPR35 2521/4885TSHR 2337/4885CYP3A4 74/4885

“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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