SCHEMBL2227888

SCHEMBL2227888

Cc1cnc(-c2cccc(C)c2Br)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PTPN1 P18031 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL23176766 0.82 RAB9A (0.59) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL12794312 0.80 EDNRB (0.39) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL7848844 0.78 RXFP1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1MAOA
SCHEMBL9510677 0.72 ALOX15 (0.50) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL16933963 0.72 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL13086663 0.71 NPC1 (0.60) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL2288771 0.71 C1R (0.43) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL18955869 0.71 TTR (0.45) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL5540045 0.71 KDM4E (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1207825 0.71 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CASP3SENP8

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
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B NPC1 1642/4885RAB9A 1086/4885SMN1; SMN2 3351/4885

“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.