SCHEMBL3172316

SCHEMBL3172316

CS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])ccc(Cl)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
ALDH3A1 P30838 2/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
VCAM1 P19320 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39

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
SCHEMBL3177260 0.86 KMT2A (0.48) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL3167155 0.84 MEN1 (0.43) LMNAMAPTGAAALDH3A1ALDH1A1
SCHEMBL8331777 0.83 RAB9A (0.44) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL3169532 0.83 MAPT (0.54) LMNAMAPTGAAALDH3A1ALDH1A1
SCHEMBL10643719 0.83 MAPT (0.45) LMNAMAPTGAAALDH3A1ALDH1A1
SCHEMBL3178007 0.81 MERTK (0.54) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL3178123 0.80 MAPT (0.43) LMNAMAPTGAAALDH1A1MEN1
SCHEMBL10647647 0.80 KMT2A (0.49) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3178068 0.79 KMT2A (0.47) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10643617 0.78 ADAMTS5 (0.44) LMNAMAPTALDH1A1MEN1KMT2A

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 8 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

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 LMNA 3118/4885MAPT 4562/4885GAA 314/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 LMNA 2077/4885MAPT 4635/4885GAA 629/4885

“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.