SCHEMBL1426313

SCHEMBL1426313

Brc1ccc2c(c1)nc1n2CCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 10/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 4/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL24329884 0.87 MEN1 (0.51) MEN1KMT2ATP53MAPTLMNA
SCHEMBL21320757 0.82 ALDH1A1 (0.46) MEN1KMT2ATP53MAPTHPGD
SCHEMBL829880 0.81 MEN1 (0.62) MEN1KMT2ATP53MAPTLMNA
SCHEMBL3435026 0.81 MEN1 (0.62) MEN1KMT2ATP53MAPTLMNA
SCHEMBL419918 0.80 PIK3CA (0.42) MEN1KMT2ATP53MAPTPIK3CD
SCHEMBL19936511 0.79 SMN1; SMN2 (0.62) MEN1KMT2ATP53MAPTLMNA
SCHEMBL8969364 0.79 ACHE (0.69) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL6920428 0.79 MEN1 (0.63) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL3435382 0.78 MEN1 (0.59) MEN1KMT2ATP53MAPTLMNA
SCHEMBL2050608 0.78 MEN1 (0.66) MEN1KMT2ALMNAHPGDALDH1A1

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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US disclosed
EP-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 MEN1 389/4885KMT2A 880/4885TP53 4820/4885
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R MEN1 200/4885KMT2A 636/4885TP53 4870/4885

“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.