SCHEMBL9304987

SCHEMBL9304987

Clc1ccc2oc(Br)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ PSMB8 P28062 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54
▸ SENP6 Q9GZR1 2/20 0.54
▸ KDM4E B2RXH2 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 3/20 0.49

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
SCHEMBL1672481 0.79 LMNA (0.66) LMNACYP1A2MAPTTHRBALOX15
SCHEMBL30011535 0.79 MAPT (0.47) CYP1A2MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL28602639 0.79 MAPT (0.47) CYP1A2MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL11491925 0.76 LMNA (0.61) LMNACYP1A2MAPTTHRBALOX15
SCHEMBL19086928 0.76 LMNA (0.61) LMNACYP1A2MAPTTHRBALOX15
SCHEMBL9306872 0.76 RAB9A (0.58) LMNAMAPTSMN1; SMN2CASP3SENP7
SCHEMBL353166 0.76 LMNA (0.61) LMNACYP1A2MAPTTHRBALOX15
Zoxazolamine SCHEMBL10891033 0.76 LMNA (1.00) LMNACYP1A2MAPTTHRBALOX15
SCHEMBL19597624 0.76 LMNA (0.61) LMNACYP1A2MAPTTHRBALOX15
Chlorzoxazone SCHEMBL35177 0.76 KDM4E (0.70) LMNACYP1A2MAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 — — US disclosed
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 — — US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 — — US disclosed
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 — — US disclosed
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 — — US disclosed
EP-3699173-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME California Institute of Technology (US) 2020-08-26 — — EP disclosed
EP-3699173-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME California Institute of Technology (US) 2020-08-26 — — EP disclosed
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-25 — — US disclosed
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-25 — — US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 — — US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 — — US disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 — — EP 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 (4 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-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 LMNA 2903/4885CYP1A2 211/4885MAPT 2373/4885
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 LMNA 2903/4885CYP1A2 211/4885MAPT 2373/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 LMNA 2903/4885CYP1A2 211/4885MAPT 2373/4885
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same GMNN, GRIA1, GRIA2 LMNA 2903/4885CYP1A2 211/4885MAPT 2373/4885

“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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