SCHEMBL3177723

SCHEMBL3177723

O=C(O)c1c(Cl)ccc([N+](=O)[O-])c1Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPT P10636 3/20 0.49
AR P10275 1/20 0.49
CTSV O60911 4/20 0.47
CTSL P07711 4/20 0.47
LMNA P02545 1/20 0.47
GPR55 Q9Y2T6 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.44
BACE1 P56817 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL10652351 0.91 SMN1; SMN2 (0.46) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL10645199 0.89 CTSV (0.56) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL10651184 0.86 MAPT (0.51) MEN1KMT2AMAPTARCTSV
SCHEMBL10647647 0.86 KMT2A (0.49) MEN1KMT2AMAPTLMNANPC1
SCHEMBL10643617 0.84 ADAMTS5 (0.44) MEN1KMT2AMAPTLMNANPC1
SCHEMBL10645202 0.84 MAPT (0.44) MEN1KMT2AMAPTLMNANPC1
SCHEMBL3169532 0.82 MAPT (0.54) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL7499740 0.81 MEN1 (0.64) MEN1KMT2AMAPTARCTSV
SCHEMBL3178068 0.80 KMT2A (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10652344 0.80 HRH3 (0.50)

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
US-20100016300-A1 Imidazoacridine Compounds for Treating FLT3-Mediated Disorders XANTHUS PHARMACEUTICALS, INC. 2010-01-21 US disclosed
WO-2008016661-A2 MORPHOLINO COMPOUNDS FOR TREATING INFLAMMATORY AND DEMYELINATING DISEASES AND CANCERS XANTHUS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-2008016665-A2 IMIDAZOACRIDINE COMPOUNDS FOR TREATING FLT3 -MEDIATED DISORDERS XANTHUS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
US-6664263-B2 Potent unsymmetrical DNA bifunctional intercalators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-12-16 US disclosed
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY HEALTH AND HUMAN SERVICES, THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEARTMENT OF 2003-10-30 US disclosed
EP-1265898-B1 1,8-NAPHTHALIMIDE IMIDAZO 4,5,1- i de /i ]ACRIDONES WITH ANTI-TUMOR ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2003-09-24 EP disclosed
EP-1265898-A2 1,8-NAPHTHALIMIDE IMIDAZO 4,5,1- i de /i ]ACRIDONES WITH ANTI-TUMOR ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-12-18 EP disclosed
WO-2001066545-A2 1,8-NAPHTHALIMIDE IMIDAZO[4,5,1-de]ACRIDONES WITH ANTI-TUMOR ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-09-13 WO disclosed
EP-0145226-B1 SUBSTITUTED 1-AMINO-4-NITRO-ACRIDINONES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-10-05 EP disclosed
EP-0138302-B1 PYRAZOLO(3,4,5-KL)ACRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-03-09 EP disclosed
US-4626540-A Substituted 1-amino-4-nitro-acridinones and methods of treating bacterial infections and leukemia with them WARNER-LAMBERT COMPANY (US) 1986-12-02 US disclosed
US-4621086-A Method of treating leukemia with pyrazolo[3,4,5-kl]acridines WARNER-LAMBERT COMPANY (US) 1986-11-04 US disclosed
US-4588730-A Pyrazolo[3,4,5-k1]acridine compositions and methods for their use as antimicrobials WARNER-LAMBERT COMPANY (US) 1986-05-13 US disclosed
US-4555572-A Pyrazolo[3,4,5-kl]acridine compositions and methods for their production and use WARNER-LAMBERT COMPANY (US) 1985-11-26 US disclosed
EP-0145226-A2 Substituted 1-amino-4-nitro-acridinones, pharmaceutical compositions comprising the same and processes for their production WARNER-LAMBERT COMPANY (US) 1985-06-19 EP disclosed
EP-0138302-A1 Pyrazolo(3,4,5-kl)acridine compounds, pharmaceutical compositions comprising the same and processes for their production WARNER-LAMBERT COMPANY (US) 1985-04-24 EP 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 (2 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-20100016300-A1 Imidazoacridine Compounds for Treating FLT3-Mediated Disorders FLT3, CSF3R, ABL1 MEN1 187/4885KMT2A 629/4885MAPT 4562/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 MEN1 810/4885KMT2A 3775/4885MAPT 4635/4885

“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.