SCHEMBL2686271

SCHEMBL2686271

N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
IDO1 P14902 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
BACE1 P56817 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
AKT1 P31749 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 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
SCHEMBL2686273 1.00 HDAC8 (0.53) HDAC8IDO1MEN1KMT2ABACE1
Hydrochloric Acid SCHEMBL2686253 0.99 HDAC8 (0.55) HDAC8IDO1MEN1KMT2ABACE1
Hydrochloric Acid SCHEMBL2686252 0.99 HDAC8 (0.55) HDAC8IDO1MEN1KMT2ABACE1
SCHEMBL2312361 0.85 BACE1 (0.63) HDAC8MEN1KMT2ABACE1AKT1
SCHEMBL28279157 0.85 BACE1 (0.63) HDAC8MEN1KMT2ABACE1AKT1
SCHEMBL2312372 0.85 BACE1 (0.63) HDAC8MEN1KMT2ABACE1AKT1
SCHEMBL10710578 0.84 NOS3 (0.52) HDAC8BACE1ALDH1A1LMNAMAPT
SCHEMBL17153894 0.84 HDAC4 (0.62) HDAC8MEN1KMT2AALDH1A1LMNA
SCHEMBL4522561 0.84 MEN1 (0.69) HDAC8MEN1KMT2ABACE1ALDH1A1
SCHEMBL4523479 0.84 MEN1 (0.69) HDAC8MEN1KMT2ABACE1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A HDAC8 2147/4885IDO1 1061/4885MEN1 3254/4885

“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.