SCHEMBL1104768

SCHEMBL1104768

Fc1cccc(Cn2ccc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
SLC2A1 P11166 1/20 0.50
DBH P09172 1/20 0.50
EPHX2 P34913 2/20 0.49
PLAU P00749 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.47
CYP19A1 P11511 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL31258087 1.00 HTR6 (0.55) HTR6ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL31257980 0.87 HTR6 (0.58) HTR6CDK4CCND1DBHPLAU
SCHEMBL6085996 0.87 HTR6 (0.58) HTR6CDK4CCND1DBHPLAU
SCHEMBL16044140 0.82 FGFR1 (0.51) HTR6ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3507375 0.82 EGFR (0.62) HTR6SLC2A1DBHEPHX2PLAU
SCHEMBL6085951 0.82 EGFR (0.51) SLC2A1DBHEPHX2PLAUMAOB
SCHEMBL11949599 0.82 DPP4 (0.53) SLC2A1DBHEPHX2PLAUMAOB
SCHEMBL3844137 0.81 HTR6 (0.70) HTR6ALDH1A1SMN1; SMN2CDK4CCND1
SCHEMBL31258193 0.81 HTR6 (0.70) HTR6ALDH1A1SMN1; SMN2CDK4CCND1
SCHEMBL20172385 0.81 EPHX2 (0.53) SLC2A1DBHEPHX2PLAUMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020976-B Pyrimidotriazole-indole-containing compound and preparation method and application thereof 郑州大学 2020-04-17 CN disclosed
CN-109020976-A Pyrimido triazole-Benzazole compounds and its preparation method and application 郑州大学 2018-12-18 CN disclosed
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
CN-1250542-C 2-(1H-indol-3-yl)-2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2006-04-12 CN disclosed
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
CN-1413205-A 2- (1H-indol-3-yl) -2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2003-04-23 CN disclosed
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 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 (4 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 HTR6 198/4885ALDH1A1 1200/4885LMNA 2337/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 HTR6 198/4885ALDH1A1 1200/4885LMNA 2337/4885
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 HTR6 2619/4885ALDH1A1 384/4885LMNA 4415/4885
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR6 2122/4885ALDH1A1 58/4885LMNA 2997/4885

“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.