SCHEMBL15724401

SCHEMBL15724401

CC(C)n1nc(C(F)(F)F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 3/20 0.31
MAPT P10636 1/20 0.31
MAP3K12 Q12852 1/20 0.31
PTGS2 P35354 2/20 0.31
ALOX5 P09917 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL15723695 0.87 HTR2A (0.31) HTR2AHTR2CHTR2BMAP3K12
SCHEMBL15723866 0.82 GRN (0.34) KDM4EMAPT
SCHEMBL18853941 0.78 KDM4E (0.37) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL9198090 0.78 KDM4E (0.39) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL25212917 0.77 TGFBR1 (0.37) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL13605208 0.77 PTGS1 (0.38) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL17045332 0.77 HSP90AA1 (0.36) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL18782522 0.76 CRACR2A (0.37) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL12859127 0.76 MAP3K12 (0.38) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL6886845 0.76 CRACR2A (0.34) TGFBR1KDM4ELMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION CONVELO THERAPEUTICS, INC. 2024-12-05 US disclosed
EP-4436975-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118696050-A Spirocyclic cyclic modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-09-24 CN disclosed
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097233-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20240398781-A1 SPIROCYCLIC CYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, PMP22, NR1H2 TGFBR1 4320/4885KDM4E 2076/4885LMNA 597/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885KDM4E 1590/4885LMNA 3182/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN TGFBR1 3853/4885KDM4E 1590/4885LMNA 3182/4885

“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.