SCHEMBL3167155

SCHEMBL3167155

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CXCR2 P25025 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
ALDH3A1 P30838 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38

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 0.87 KMT2A (0.48) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL3178068 0.84 KMT2A (0.47) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL3178007 0.84 MERTK (0.54) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL8331777 0.84 RAB9A (0.44) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL3172316 0.84 LMNA (0.52) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL3169532 0.84 MAPT (0.54) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL10643719 0.84 MAPT (0.45) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL10647647 0.81 KMT2A (0.49) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL3178123 0.81 MAPT (0.43) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL10653132 0.80 MAPT (0.56) MEN1KMT2AALDH1A1HTTGAA

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 MEN1 187/4885KMT2A 629/4885ALDH1A1 532/4885
US-20030203916-A1 1,8-NAPHTHALIMIDE IMIDAZO{4,5,1-DE}ACRIDONES WITH ANTI-TUMOR ACTIVITY MKI67, CDKN1A, CCNA1 MEN1 810/4885KMT2A 3775/4885ALDH1A1 39/4885

“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.