SCHEMBL15730331

SCHEMBL15730331

Cn1nc(C(F)(F)F)c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 3/20 0.44
GRIA2 P42262 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 3/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL14401055 0.96 LMNA (0.55) LMNATSHRNPSR1GAATDP1
SCHEMBL18328249 0.94 LMNA (0.56) LMNATSHRNPSR1GAATDP1
SCHEMBL15730538 0.94 LMNA (0.56) LMNATSHRNPSR1GAATDP1
SCHEMBL15730334 0.83 SSTR4 (0.46) LMNATSHRNPSR1GAATDP1
SCHEMBL15730113 0.81 SSTR4 (0.42) LMNATSHRNPSR1GAATDP1
SCHEMBL19531701 0.78 SSTR4 (0.48) LMNATSHRNPSR1GAATDP1
SCHEMBL15724392 0.78 LMNA (0.45) LMNATSHRNPSR1GAATDP1
SCHEMBL23937885 0.77 LMNA (0.51) LMNATSHRNPSR1GAATDP1
SCHEMBL15730164 0.77 GRIA2 (0.49) LMNATSHRNPSR1GAATDP1
SCHEMBL15730382 0.77 GRIA2 (0.41) LMNATSHRNPSR1GAACYP1A2

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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 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 (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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885TSHR 4824/4885NPSR1 2832/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885TSHR 4824/4885NPSR1 2832/4885

“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.