SCHEMBL23502011

SCHEMBL23502011

Cc1[nH]c2ccc(F)cc2c1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.53
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
METAP2 P50579 1/20 0.44
CHUK O15111 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
VDR P11473 1/20 0.41

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
SCHEMBL21082251 0.86 MEN1 (0.58) KIF11KEAP1NFE2L2KDM4EKMT2A
SCHEMBL11827114 0.81 KIF11 (0.45) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL27749037 0.79 KIF11 (0.43) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL25498024 0.79 SIRT1 (0.55) LMNAALDH1A1GAAHTR2AHTR2C
SCHEMBL24063528 0.79 SIRT1 (0.55) LMNAHTR2AHTR2CHTR7HTR6
SCHEMBL10067335 0.77 MAPT (0.55) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL25805760 0.77 KIF11 (0.55) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL30356394 0.77 MAPT (0.55) KIF11KEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL14019351 0.76 ALDH1A1 (0.65) ACHEKDM4EALDH1A1HTR7HTR6
SCHEMBL15379639 0.76 ACHE (0.67) KIF11KEAP1NFE2L2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KIF11 2398/4885KEAP1 1202/4885NFE2L2 3559/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KIF11 2398/4885KEAP1 1202/4885NFE2L2 3559/4885

“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.