SCHEMBL3779966

SCHEMBL3779966

O=C(NCc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PPARG P37231 1/20 0.54
F2R P25116 6/20 0.52
BCHE P06276 4/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CA2 P00918 1/20 0.51
PTGES O14684 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3771748 0.87 PTGES (0.69) MAPTLMNASMN1; SMN2PPARGF2R
SCHEMBL3771548 0.87 BCHE (0.68) MAPTLMNASMN1; SMN2F2RBCHE
SCHEMBL3774731 0.87 MAPT (0.54) MAPTLMNASMN1; SMN2BCHEKMT2A
SCHEMBL3774815 0.87 TP53 (0.58) MAPTLMNASMN1; SMN2PPARGF2R
SCHEMBL3773611 0.84 CA2 (0.53) MAPTLMNASMN1; SMN2BCHEKMT2A
SCHEMBL3772291 0.84 MAPT (0.68) MAPTPPARGKMT2AHPGD
SCHEMBL3770493 0.84 KCNK3 (0.60) MAPTLMNASMN1; SMN2F2RBCHE
SCHEMBL3774150 0.82 MAPT (0.57) MAPTLMNASMN1; SMN2PPARGBCHE
SCHEMBL3779538 0.81 PTGES (0.74) MAPTLMNAF2RKMT2AMEN1
SCHEMBL6724672 0.81 MAPT (0.64) MAPTLMNASMN1; SMN2BCHEKMT2A

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
WO-2009103778-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2009-08-27 WO claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 MAPT 1426/4885LMNA 2648/4885SMN1; SMN2 1085/4885

“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.