SCHEMBL18157337

SCHEMBL18157337

Cc1cn(-c2ccc(Br)cc2[N+](=O)[O-])c(C)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL18157353 0.84 LMNA (0.48) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16057651 0.84 LMNA (0.48) LMNANPSR1ALDH1A1KDM4EMAPT
SCHEMBL16056939 0.84 LMNA (0.51) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL16056938 0.84 LMNA (0.51) LMNATSHRALDH1A1KDM4EMAPT
SCHEMBL18157342 0.84 LMNA (0.48) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16056591 0.83 LMNA (0.47) LMNAALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL16057763 0.83 ALDH1A1 (0.48) LMNANPSR1ALDH1A1KDM4EMAPT
SCHEMBL16083238 0.81 GABRA2 (0.52) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL18157448 0.76 TSHR (0.46) TSHRNPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18157361 0.76 MAPT (0.36) LMNATSHRNPSR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304499-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-20 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 (1 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-20160304499-A1 LXR MODULATORS NR1H2, NR1H3, NR1H4 LMNA 961/4885TSHR 340/4885NPSR1 512/4885

“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.