SCHEMBL5776770

SCHEMBL5776770

NNc1ccc(-c2cnco2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.58
LMNA P02545 2/20 0.58
NOTUM Q6P988 1/20 0.58
GAA P10253 1/20 0.58
PTK2 Q05397 1/20 0.57
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KEAP1 Q14145 1/20 0.53
NPC1 O15118 4/20 0.53
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
IMPDH2 P12268 2/20 0.50
IMPDH1 P20839 1/20 0.50
AAK1 Q2M2I8 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49

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
Hydrochloric Acid SCHEMBL5776713 0.98 PKM (0.56) PKMLMNANOTUMGAAPTK2
SCHEMBL10768177 0.83 PKM (0.78) PKMLMNANOTUMGAAPTK2
SCHEMBL14364371 0.82 LMNA (0.47) PKMLMNANOTUMGAAPTK2
SCHEMBL8171366 0.81 PKM (0.63) PKMLMNANOTUMGAAPTK2
SCHEMBL13151143 0.79 MAP4K4 (0.68) PKMLMNANOTUMGAAPTK2
SCHEMBL5776261 0.78 PKM (0.55) PKMLMNANOTUMGAAPTK2
SCHEMBL1160951 0.78 PKM (0.64) PKMLMNANOTUMGAAPTK2
SCHEMBL5533212 0.78 KMT2A (0.58) PKMLMNANOTUMGAAPTK2
SCHEMBL2449213 0.78 KMT2A (0.58) PKMLMNANOTUMGAAPTK2
SCHEMBL20620242 0.77 IMPDH2 (0.61) PKMLMNANOTUMGAAPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US 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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 PKM 1687/4885LMNA 928/4885NOTUM 1731/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT PKM 3411/4885LMNA 861/4885NOTUM 2546/4885

“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.