SCHEMBL2829388

SCHEMBL2829388

Nc1ccccc1C(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.78
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50

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
SCHEMBL3253860 0.91 RECQL (0.80) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL333313 0.88 RECQL (1.00) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL29516764 0.88 RECQL (1.00) RECQLALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL8835389 0.86 RECQL (0.97) RECQLALDH1A1KDM4ENPC1RAB9A
Hydrazine SCHEMBL11776632 0.86 RECQL (0.97) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL3050631 0.86 RECQL (0.73) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL11842389 0.85 RECQL (0.77) RECQLALDH1A1TP53MAPTGABRP
SCHEMBL4707059 0.83 RECQL (0.73) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL31272816 0.83 RECQL (0.73) RECQLALDH1A1KDM4ENPC1RAB9A
SCHEMBL9540049 0.83 RECQL (0.79) RECQLALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377588-B1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2005-08-10 EP claimed
US-20050101804-A1 4Beta-1\"-{2'-substituted benzoyl) anilino] podophyllotoxin analogues useful as anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-05-12 US claimed
EP-1377588-A1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-07 EP claimed
WO-2003082876-A1 4-BETA-1''-`(2''-(SUBSTITUTED BENZOYL)ANILINO! PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 WO claimed
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1888538-B1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-7348332-B2 (3,4-dihydro-quinazolin-2-yl)-indan-1-yl-amines HOFFMANN-LA ROCHSE INC. (US) 2008-03-25 US disclosed
EP-1888538-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP disclosed
EP-1871748-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. Hoffmann-Roche AG (CH) 2008-01-02 EP disclosed
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. 2006-11-09 US disclosed
WO-2006117305-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
WO-2006108773-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 US disclosed
EP-1377588-B1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL SCIENT IND RES (IN) 2005-08-10 EP disclosed
EP-1377588-A1 4-BETA-1''-[(2''-(SUBSTITUTED BENZOYL)ANILINO] PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-07 EP disclosed
WO-2003082876-A1 4-BETA-1''-`(2''-(SUBSTITUTED BENZOYL)ANILINO! PODOPHYLLOTOXIN ANALOGUES USEFUL AS ANTICANCER AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 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 (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-20060229323-A1 (3,4-Dihydro-quinazolin-2-yl)-indan-1-yl-amines HTR5A, HTR1A, HTR1E RECQL 2155/4885ALDH1A1 281/4885KDM4E 928/4885
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HTR5A, NPY5R, HTR3A RECQL 1301/4885ALDH1A1 780/4885KDM4E 1735/4885
US-20050101804-A1 4Beta-1\"-{2'-substituted benzoyl) anilino] podophyllotoxin analogues useful as anticancer agents TUBB4A, CASP4, TUBB4B RECQL 1648/4885ALDH1A1 1082/4885KDM4E 622/4885

“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.