SCHEMBL496747

SCHEMBL496747

[c]1cccc2[nH]c3cnccc3c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 8/20 0.58
GABRA1 P14867 2/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
GABRA5 P31644 2/20 0.58
GABRA3 P34903 2/20 0.58
GABRA2 P47869 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
IKBKB O14920 1/20 0.58
AURKA O14965 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PIM1 P11309 1/20 0.58
TOP1 P11387 1/20 0.58
IDO1 P14902 1/20 0.58
HPGD P15428 1/20 0.58
GABRB1 P18505 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58

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
SCHEMBL18427910 0.86 ACHE (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL24817 0.77 ALDH1A1 (0.54) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL1844840 0.76 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322777 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2388664 0.74 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2ACHE
SCHEMBL12396541 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL9486853 0.74 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5
Carbazole SCHEMBL18684843 0.74 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL25834 0.74 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL29370219 0.74 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
US-20050171101-A1 Phenanthridinones as parp inhibitors FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-08-04 US claimed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP claimed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO claimed
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US disclosed
EP-3736266-A1 COMPOUND SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF Peking University Shenzhen Graduate School (CN) 2020-11-11 EP disclosed
US-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2020-10-22 US disclosed
US-9700633-B2 Conjugates of water soluble polymer-amino acid oligopeptide-drug, preparation method and use thereof JENKEM TECHNOLOGY CO., LTD., TIANJIN BRANCH (CN) 2017-07-11 US disclosed
EP-2803665-B1 SYNTHESIS OF POLYHYDROXY BENZOPYRAN KETONE COMPOUND AND ANTI-TUMOR EFFECT THEREOF BEIJING SHENOGEN PHARMA GROUP LTD (CN) 2017-05-10 EP disclosed
US-9221781-B2 Synthesis of polyhydroxy chromenone compounds and their anti-tumor effects BEIJING SHENOGEN PHARAM GROUP LTD. (CN) 2015-12-29 US disclosed
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF JENKEM TECHNOLOGY CO. LTD., TIANJIN BRANCH (CN) 2015-12-17 US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2004096811-A1 PDE9 INHIBITORS FOR TREATING TYPE 2 DIABETES, METABOKIC SYNDROME, AND CARDIOVASCULAR DISEASE PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
WO-2004096768-A1 ANTI-DIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2004-11-11 WO disclosed
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PFIZER INC. 2004-11-04 US disclosed
US-20040220229-A1 insulin resistance; central nervous system disorders; vision defects; anticholesterol agents;antilipemic agents; antiischemic agents PFIZER INC 2004-11-04 US disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 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 (6 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-20050171101-A1 Phenanthridinones as parp inhibitors PARP1, PARP11, PARP2 CHUK 124/4885GABRA1 3643/4885GABRG2 4241/4885
US-20150359900-A1 CONJUGATES OF WATER SOLUBLE POLYMER-AMINO ACID OLIGOPEPTIDE-DRUG, PREPARATION METHOD AND USE THEREOF SLC7A1, NPPA, PEPD CHUK 3008/4885GABRA1 3259/4885GABRG2 4030/4885
US-20040220229-A1 insulin resistance; central nervous system disorders; vision defects; anticholesterol agents;antilipemic agents; antiischemic agents IRS1, INSR, GPR119 CHUK 178/4885GABRA1 2846/4885GABRG2 3725/4885
US-20200331882-A1 COMPOUND FOR SIMULTANEOUSLY INHIBITING LSD1 AND HDAC TARGETS AND APPLICATION THEREOF HDAC1, HDAC3, HDAC11 CHUK 282/4885GABRA1 595/4885GABRG2 593/4885
US-20040220186-A1 PDE9 inhibitors for treating type 2 diabetes,metabolic syndrome, and cardiovascular disease PDE9A, PDE2A, PDE12 CHUK 964/4885GABRA1 3842/4885GABRG2 3980/4885
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 CHUK 2447/4885GABRA1 1217/4885GABRG2 2729/4885

“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.