SCHEMBL2498677

SCHEMBL2498677

COc1ccc(N2CCCCC2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 2/20 0.58
ALDH1A1 P00352 4/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
HIF1A Q16665 3/20 0.50
SUV39H2 Q9H5I1 1/20 0.49
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL28860292 0.87 ALDH1A1 (0.63) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL807418 0.86 ALDH1A1 (0.58) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL7303075 0.85 ALDH1A1 (0.65) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5528296 0.85 MAPK1 (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2498472 0.83 MAPT (0.63) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL27761620 0.83 LMNA (0.52) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL19381361 0.82 MEN1 (0.44) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL23705839 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL13849368 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL31091978 0.81 ALDH1A1 (0.55) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017159484-A1 2,4-DIAMINOPHENOL DERIVATIVE, AND AGENT FOR INHIBITING AGGREGATION OF TAU AND/OR AMYLOID β 学校法人同志社 2017-09-21 WO disclosed
US-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2017-06-15 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20170166554-A1 BETA-ARRESTIN-BIASED CANNABINOID CB1 RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CNR1, CNR2, ARRB1 MEN1 4098/4885KMT2A 3715/4885MAPT 3519/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 MEN1 527/4885KMT2A 1662/4885MAPT 672/4885

“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.