SCHEMBL6963334

SCHEMBL6963334

Cc1cc(C)c(-c2n[nH]c(=O)c3ccccc23)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NCOA1 Q15788 1/20 0.47

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
SCHEMBL29818828 1.00 LMNA (0.58) LMNATSHRATMNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL29818605 0.97 LMNA (0.56) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL14124159 0.88 LMNA (0.56) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL4722654 0.83 ATM (0.66) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL30719637 0.83 ATM (0.66) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL23840179 0.80 IDO1 (0.55) ALDH1A1KDM4EGAAHPGDMAPK1
SCHEMBL30719643 0.78 LMNA (0.59) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL1789688 0.78 LMNA (0.59) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL1786578 0.78 ATM (0.73) LMNATSHRATMNPSR1ALDH1A1
SCHEMBL14124140 0.76 LMNA (0.61) LMNATSHRATMNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592562-B Catalyst system of IVB group metal ligand containing phthalazinone structure and application thereof 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111592562-A Catalyst system of IVB group metal ligand containing phthalazinone structure and application thereof 万华化学集团股份有限公司 2020-08-28 CN disclosed
EP-0946520-B1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORP (US) 2003-04-02 EP disclosed
US-6440969-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-08-27 US disclosed
US-6353103-B1 STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY. NEUROGEN CORPORATION 2002-03-05 US disclosed
US-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION. 2001-11-01 US disclosed
US-6235752-B1 CORTICOTROPIN RELEASING FACTOR; PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-05-22 US disclosed
US-6114530-A ISOQUIOLINAMINES AND PHTHALAZINAMINES USEFUL IN TREATING STRESS RELATED DISORDERES SUCH AS POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-09-05 US disclosed
EP-0946520-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1998027066-A1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORPORATION (US) 1998-06-25 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-20010036945-A1 Certain Isoquinolinamine and phthalazinamine derivatives; corticotropin-releasing factor receptor CRF1 specific ligands CRHR1, CRH, CRHR2 LMNA 4375/4885TSHR 213/4885ATM 3249/4885

“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.