SCHEMBL24377436

SCHEMBL24377436

COC(=O)c1cc(F)c(-c2cnc(C(=O)OC)c(N)c2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
SIRT6 Q8N6T7 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
ABL1 P00519 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CFTR P13569 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GUSB P08236 1/20 0.33

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
SCHEMBL22140511 0.90 PDGFRB (0.37) MAPTMAPK1POLBSIRT6PDGFRB
SCHEMBL22140402 0.86 KDM4E (0.42) MAPTPDGFRBKDRABL1CFTR
SCHEMBL22140527 0.81 MAPT (0.42) MAPTMAPK1POLBSIRT6PDGFRB
SCHEMBL26174042 0.76 KDM4E (0.40) MAPTMAPK1POLBKDM4EALDH1A1
SCHEMBL29679513 0.75 SIRT6 (0.48) MAPTPOLBSIRT6PDGFRBFGFR1
SCHEMBL1640894 0.75 SIRT6 (0.48) MAPTPOLBSIRT6PDGFRBFGFR1
SCHEMBL23988963 0.74 ABL1 (0.33) PDGFRBKDRABL1CFTRALOX5AP
SCHEMBL2895340 0.73 PDGFRB (0.50) MAPTPOLBSIRT6PDGFRBFGFR1
SCHEMBL5168499 0.73 KDM4E (0.49) MAPTSIRT6PDGFRBFGFR1PDGFRA
SCHEMBL29878477 0.72 TDP1 (0.43) MAPTMAPK1POLBSIRT6TDP1

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-11753377-B2 Crystal form of 2-methyl-2-propanol and amino-substituted aryl compound ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-09-12 US disclosed
US-20230174489-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2023-06-08 US disclosed
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2022-04-28 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 (3 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-20230174489-A1 CRYSTAL FORM OF 2-METHYL-2-PROPANOL AND AMINO-SUBSTITUTED ARYL COMPOUND CYP51A1, CYP4A11, CYP11B2 MAPT 642/4885MAPK1 444/4885POLB 3144/4885
US-11753377-B2 Crystal form of 2-methyl-2-propanol and amino-substituted aryl compound CYP51A1, CYP4A11, CYP11B2 MAPT 642/4885MAPK1 444/4885POLB 3144/4885
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ALDH1A2, ALDH1A3, NR2E3 MAPT 231/4885MAPK1 4627/4885POLB 3694/4885

“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.