SCHEMBL3775455

SCHEMBL3775455

CNC(=O)c1c(-c2ccccc2)c(F)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TACR3 P29371 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE10A Q9Y233 2/20 0.44
TSHR P16473 1/20 0.44
DHODH Q02127 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
TACR1 P25103 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3776440 0.83 LMNA (0.69) LMNASMN1; SMN2MAPTGAANPSR1
SCHEMBL3788035 0.80 ALDH1A1 (0.51) LMNASMN1; SMN2MAPTGAANPSR1
SCHEMBL7044638 0.80 PDE10A (0.51) LMNASMN1; SMN2MAPTGAANPSR1
SCHEMBL2718142 0.79 TACR3 (0.47) LMNATACR3SMN1; SMN2MAPTGAA
SCHEMBL2718145 0.78 TACR3 (0.46) LMNATACR3SMN1; SMN2MAPTGAA
SCHEMBL31673827 0.75 KDM1A (0.51) LMNASMN1; SMN2MAPTNPSR1MEN1
SCHEMBL3787063 0.72 MEN1 (0.46) LMNASMN1; SMN2MAPTNPSR1MEN1
SCHEMBL16098313 0.72 TACR3 (0.73) TACR3PDE10ATSHRDHODHCYP3A4
SCHEMBL28958192 0.72 MAPT (0.68) LMNASMN1; SMN2MAPTGAANPSR1
SCHEMBL15343068 0.72 NUDT1 (0.51) LMNASMN1; SMN2MAPTGAANPSR1

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-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 LMNA 2321/4885TACR3 4197/4885SMN1; SMN2 983/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 LMNA 2309/4885TACR3 4205/4885SMN1; SMN2 989/4885

“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.