SCHEMBL461849

SCHEMBL461849

NC(=O)c1cccc2cc3ccccc3nc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.60
PARP1 P09874 15/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PARP2 Q9UGN5 1/20 0.48
PARP3 Q9Y6F1 1/20 0.48
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL30661004 1.00 IKBKB (0.60) IKBKBPARP1ALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL31161184 0.98 IKBKB (0.58) IKBKBPARP1ALDH1A1KDM4EGAA
SCHEMBL28276351 0.98 IKBKB (0.58) IKBKBPARP1ALDH1A1KDM4EGAA
Butyric Acid SCHEMBL29114521 0.86 PARP1 (0.49) IKBKBPARP1ALDH1A1KDM4EGAA
SCHEMBL902623 0.84 ALDH1A1 (0.66) IKBKBALDH1A1KDM4EHDAC1HDAC6
SCHEMBL27450141 0.84 PARP1 (0.64) IKBKBPARP1ALDH1A1KDM4EGAA
SCHEMBL27449612 0.83 PARP1 (0.51) IKBKBPARP1ALDH1A1KDM4EGAA
SCHEMBL27418513 0.83 PARP1 (0.51) IKBKBPARP1ALDH1A1KDM4EGAA
SCHEMBL27449144 0.83 PARP1 (0.51) PARP1ALDH1A1KDM4EGAAPARP2
SCHEMBL27544144 0.83 PARP1 (0.51) PARP1ALDH1A1KDM4EGAAPARP2

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 254 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP claimed
CN-1116285-C Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2003-07-30 CN claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US claimed
CN-1240431-A Process for preparation of N-[2-(dimethylamino) ethyl] acridine-4-carboxamide XENOVA LTD (GB) 2000-01-05 CN claimed
US-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-07-18 US disclosed
EP-4389765-A2 METHODS OF PERMEABILIZING THE BLOOD BRAIN BARRIER University of Southern California (US) 2024-06-26 EP disclosed
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-06-20 US disclosed
EP-4374929-A2 METHODS AND DEVICES FOR USING ISOPERILLYL ALCOHOL University of Southern California (US) 2024-05-29 EP disclosed
US-20240156764-A1 INHIBITION OF URACIL DNA GLYCOSYLASE IN THE OPEN CONFORMATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-16 US disclosed
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-04-30 US disclosed
US-11952415-B2 Scaffold proteins AVACTA LIFE SCIENCES LIMITED (GB) 2024-04-09 US disclosed
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer PHARMACIA CORPORATION 2002-08-01 US disclosed
CN-1240430-A Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2000-01-05 CN disclosed
CN-1240431-A Process for preparation of N-[2-(dimethylamino) ethyl] acridine-4-carboxamide XENOVA LTD (GB) 2000-01-05 CN disclosed
EP-0934277-A1 PROCESS FOR THE PREPARATION OF N- 2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998045272-A1 TOPOISOMERASE INHIBITORS LATROBE UNIVERSITY (AU) 1998-10-15 WO disclosed
WO-1998017649-A1 PROCESS FOR THE PREPARATION OF N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE XENOVA LIMITED (GB) 1998-04-30 WO disclosed
WO-1996000715-A1 NEW [2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-(2-PHENOXY-ETHYL)-AMINES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMGH (DE) 1996-01-11 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 (6 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-20240239730-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MONOTERPENES SQLE, DHPS, GGPS1 IKBKB 758/4885PARP1 221/4885ALDH1A1 793/4885
US-20240197891-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES PLIN3, PLIN5, PLIN1 IKBKB 1405/4885PARP1 231/4885ALDH1A1 102/4885
US-11952415-B2 Scaffold proteins TPD52L2, Q6ZSR9, G3BP2 IKBKB 4011/4885PARP1 3433/4885ALDH1A1 4787/4885
US-11970436-B2 Pharmaceutical compositions comprising monoterpenes SQLE, DHPS, GGPS1 IKBKB 758/4885PARP1 221/4885ALDH1A1 793/4885
US-20020103141-A1 Antiangiogenic combination therapy for the treatment of cancer TOP2A, TOP2B, TOP1 IKBKB 281/4885PARP1 61/4885ALDH1A1 1074/4885
US-20240156764-A1 INHIBITION OF URACIL DNA GLYCOSYLASE IN THE OPEN CONFORMATION UNG, OGG1, MPG IKBKB 421/4885PARP1 86/4885ALDH1A1 747/4885

“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.