SCHEMBL6495897

SCHEMBL6495897

NC1(C=O)CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.51
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1B1 P15121 1/20 0.44
MAOB P27338 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38

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
Hydrochloric Acid SCHEMBL4427642 0.98 KDM1A (0.50) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL2465794 0.89 KDM1A (0.46) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL7445452 0.89 KDM1A (0.46) KDM1AMEN1KMT2AMAOBSIGMAR1
SCHEMBL4862191 0.75 MEN1 (0.53) KDM1AMEN1KMT2AAKR1B1SIGMAR1
SCHEMBL1101137 0.75 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL30112838 0.75 KDM1A (0.59) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL2091146 0.72 KDM1A (0.45) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL643388 0.72 KDM1A (0.66) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL9396129 0.72 KDM1A (0.56) KDM1AMEN1KMT2AAKR1B1MAOB
SCHEMBL6440070 0.72 KDM1A (0.56) KDM1AMEN1KMT2AAKR1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed
US-6881753-B2 Potassium channel inhibitors and method BRISTOL-MYERS SQUIBB CO. (US) 2005-04-19 US disclosed
EP-1109544-A4 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP disclosed
US-20040192710-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-09-30 US disclosed
US-6784189-B2 SULFONAMIDE COMPOUNDS CONTAINING BICYCLIC RING STRUCTURE ARE USEFUL AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-08-31 US disclosed
US-20040067944-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-04-08 US disclosed
US-20040058931-A1 Potassium channel inhibitors and method LLOYD JOHN (US) 2004-03-25 US disclosed
US-6511977-B1 For preventing or treating cardiac arrhythmia or atrial arrhythmia BRISTOL-MYERS SQUIBB COMPANY 2003-01-28 US disclosed
EP-1109544-A1 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-27 EP disclosed
US-6150356-A BENZOPYRANS AND DERIVATIVES ARE USED AS POTASSIUM CHANNEL INHIBITORS AND THUS ARE USEFUL AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-21 US disclosed
WO-2000012077-A1 POTASSIUM CHANNEL INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-09 WO disclosed
EP-0272534-A2 8-substituted 2-aminotetralins BAYER AG (DE) 1988-06-29 EP 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-20040058931-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KDM1A 516/4885MEN1 3529/4885KMT2A 1569/4885
US-20040192710-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KDM1A 516/4885MEN1 3529/4885KMT2A 1569/4885
US-20040067944-A1 Potassium channel inhibitors and method KCNH2, KCNJ2, KCNB1 KDM1A 516/4885MEN1 3529/4885KMT2A 1569/4885

“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.