SCHEMBL750970

SCHEMBL750970

O=C(Nc1ccccc1)c1c[c]ccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.58
PTPN1 P18031 3/20 0.56
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HDAC1 Q13547 1/20 0.53
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50

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
SCHEMBL750529 0.89 KCNK3 (0.59) SIRT1PTPN1KCNK3KCNK9NPC1
SCHEMBL5474341 0.88 KMT2A (0.63) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL7573916 0.85 MAPK1 (0.53) PTPN1NPC1RAB9APOLBMEN1
SCHEMBL27931870 0.85 POLB (0.61) SIRT1PTPN1NPC1RAB9AKDM4E
N-Phenylbenzamide SCHEMBL8372230 0.82 SIRT1 (0.80) SIRT1PTPN1KCNK3KCNK9NPC1
SCHEMBL28299722 0.82 PTPN1 (0.70) SIRT1PTPN1NPC1RAB9AKDM4E
SCHEMBL8648437 0.81 HDAC2 (0.61) SIRT1PTPN1KCNK3KCNK9NPC1
SCHEMBL27931875 0.81 PTGS1 (0.57) SIRT1KCNK3KCNK9NPC1RAB9A
SCHEMBL27467060 0.81 LMNA (0.69) NPC1RAB9A
SCHEMBL6971189 0.81 NPC1 (0.68) KCNK9NPC1RAB9AKDM4EPOLB

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
CN-100430386-C Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2008-11-05 CN claimed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP claimed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US claimed
CN-1735605-A Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors MERCK & CO INC (US) 2006-02-15 CN claimed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US claimed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 EP claimed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 WO claimed
CN-102762557-B Triazolopyridine BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-07 CN disclosed
CN-102174024-B 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS INC 2015-02-11 CN disclosed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0882703-B1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-08-14 EP disclosed
US-6011174-A INHIBIT PROTEIN-FARNESYL TRANSFERASE (PFT) IN VIVO THEREBY TO SUPPRESS FUNCTION OF ONCOGENE PROTEIN RAS AND THUS PRESENT ANTITUMOR ACTIVITIES, BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0882703-A1 CYCLIC AMIC ACID DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
CN-86105309-A Oxindole-3-carbonyl amines the compound that replaces as the 1-of anti-inflammatory and anodyne 1987-01-14 CN 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 (3 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 SIRT1 348/4885PTPN1 4505/4885KCNK3 2460/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD SIRT1 2882/4885PTPN1 549/4885KCNK3 745/4885
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 SIRT1 2356/4885PTPN1 2125/4885KCNK3 3478/4885

“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.