SCHEMBL5383334

SCHEMBL5383334

Nc1cc(F)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 1/20 0.52
KEAP1 Q14145 1/20 0.52
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HTR2A P28223 1/20 0.41
NCF1 P14598 1/20 0.41
ACHE P22303 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
MITF O75030 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
SCHEMBL4252503 0.85 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL2153752 0.78 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL29487594 0.78 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL30369928 0.77 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL4084096 0.77 ALDH1A1 (0.54) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL690094 0.76 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL31157796 0.76 ALDH1A1 (0.52) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL30366289 0.75 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL30404096 0.75 HPRT1 (0.71) HPRT1ALDH1A1HSD17B10TSHRHPGD
SCHEMBL3368401 0.75 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1863784-B 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO 2010-11-17 CN disclosed
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
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 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
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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 (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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 HPRT1 1593/4885ALDH1A1 1148/4885HSD17B10 3327/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HPRT1 1593/4885ALDH1A1 1148/4885HSD17B10 3327/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HPRT1 1593/4885ALDH1A1 1148/4885HSD17B10 3327/4885

“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.