SCHEMBL2913990

SCHEMBL2913990

c1cc[n+](-c2cccc3nc4ccccc4cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GLA P06280 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 3/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
PTBP1 P26599 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MAPT P10636 3/20 0.48
ACHE P22303 2/20 0.48
HTR3A P46098 1/20 0.42
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
NQO2 P16083 2/20 0.38
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL15210855 0.79 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGLAKMT2A
Hydrochloric Acid SCHEMBL1246276 0.78 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL4887318 0.77 ALDH1A1 (0.42) ALDH1A1HPGDACHETDP1HSD17B10
Bromide SCHEMBL8665049 0.76 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL4014123 0.76 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL4299906 0.74 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL4014126 0.72 KMT2A (0.64) ALDH1A1HPGDKDM4EGLAKMT2A
Acridine SCHEMBL27603600 0.71 ALDH1A1 (0.94) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL27701955 0.70 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGLAKMT2A
SCHEMBL30857473 0.70 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EGLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257538-B1 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP disclosed
EP-1261325-B1 TUMOR INHIBITING COMPOSITIONS COMPRISING NITROACRIDINES NEW YORK MEDICAL COLLEGE (US) 2010-09-08 EP disclosed
US-7622478-B2 1-nitroacridine/tumor inhibitor compositions TIWARI RAJ 2009-11-24 US disclosed
US-6589961-B2 For inhibiting metastases of a tumor in a mammal NEW YORK MEDICAL COLLEGE 2003-07-08 US disclosed
EP-1261325-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2002-12-04 EP disclosed
EP-1257538-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2002-11-20 EP disclosed
US-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NEW YORK MEDICAL COLLEGE 2002-07-25 US disclosed
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions TIWARI RAJ (US) 2002-03-28 US disclosed
WO-2001060801-A2 9-ALKYLAMINO-1-NITROACRIDINE DERIVATIVES NEW YORK MEDICAL COLLEGE (US) 2001-08-23 WO disclosed
WO-2001060351-A2 NITROACRIDINE/TUMOR INHIBITOR COMPOSITIONS NEW YORK MEDICAL COLLEGE (US) 2001-08-23 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-20020099211-A1 9-alkylamino-1-nitroacridine derivatives NPPA, ABCB11, ABCC9 ALDH1A1 82/4885HPGD 141/4885KDM4E 4417/4885
US-20020037831-A1 1-Nitroacridine/tumor inhibitor compositions MKI67, DIAPH1, API5 ALDH1A1 139/4885HPGD 94/4885KDM4E 3176/4885

“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.