SCHEMBL6788980

SCHEMBL6788980

COc1ccc2nc(Br)c(CBr)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
NQO1 P15559 1/20 0.44
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
F2 P00734 1/20 0.43
GLA P06280 1/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NQO2 P16083 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL27464674 0.88 NCF1 (0.44) NCF1NQO1ALDH1A1HPGDF2
SCHEMBL1882121 0.78 KDM4E (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL873205 0.77 NCF1 (0.49) NCF1NQO1ALDH1A1HPGDF2
SCHEMBL6785815 0.75 PDE3B (0.38) ALDH1A1PDE3BPDE3AKMT2ARXFP1
SCHEMBL31414248 0.74 KDM4E (0.63) NCF1NQO1ALDH1A1HPGDF2
SCHEMBL28191818 0.74 ALDH1A1 (0.55) NCF1NQO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL874421 0.74 NCF1 (0.46) NCF1NQO1ALDH1A1HPGDF2
SCHEMBL203756 0.73 NCF1 (0.57) NCF1NQO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7388068 0.72 KDM4E (0.61) NCF1NQO1ALDH1A1HPGDF2
SCHEMBL28247823 0.72 KDM4E (0.61) ALDH1A1HPGDF2GLAKDM4E

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
CN-102746314-B Containing stablizing the camptothecine compounds of 7 yuan of lactonic rings, preparation method and purposes 华东师范大学 2016-07-06 CN disclosed
US-9115150-B2 Camptothecin compound containing stable 7-membered lactone ring, preparation method and use EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-25 US disclosed
US-20140128421-A1 CAMPTOTHECIN COMPOUND CONTAINING STABLE 7-MEMBERED LACTONE RING, PREPARATION METHOD AND USE EAST CHINA NORMAL UNIVERSITY (CN) 2014-05-08 US disclosed
EP-2700642-A1 CAMPTOTHECIN COMPOUND CONTAINING STABLE 7-MEMBERED LACTONE RING, PREPARATION METHOD AND USE East China Normal University (CN) 2014-02-26 EP disclosed
US-6699876-B2 FOR CANCER THERAPY LES LABORATOIRES SERVIER (FR) 2004-03-02 US disclosed
US-20030105109-A1 For cancer therapy LES LABORATOIRES SERVIER (FR) 2003-06-05 US disclosed
US-6509345-B2 For therapy of cancerous diseases LES LABORATOIRES SERVIER (FR) 2003-01-21 US disclosed
EP-1101765-B1 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-08-14 EP disclosed
US-20020077325-A1 New camptothecin analogue compounds LAVIELLE GILBERT (FR) 2002-06-20 US disclosed
EP-1101765-A2 Camptothecin analogues, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-05-23 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 (3 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-20030105109-A1 For cancer therapy OXER1, OXGR1, CBR1 NCF1 588/4885NQO1 737/4885ALDH1A1 571/4885
US-20020077325-A1 New camptothecin analogue compounds OXER1, CBR3, CBR1 NCF1 284/4885NQO1 444/4885ALDH1A1 1458/4885
US-20140128421-A1 CAMPTOTHECIN COMPOUND CONTAINING STABLE 7-MEMBERED LACTONE RING, PREPARATION METHOD AND USE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADCY7, CCNC NCF1 2898/4885NQO1 773/4885ALDH1A1 1777/4885

“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.