SCHEMBL4531997

SCHEMBL4531997

O=[N+]([O-])c1cccc(CNC2CC2)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.86
KMT2A Q03164 3/20 0.67
KDM1A O60341 2/20 0.61
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
GRIN2B Q13224 2/20 0.61
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP2C19 P33261 2/20 0.50
CYP19A1 P11511 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL15670588 0.93 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL16464079 0.90 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL3087992 0.90 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL4523282 0.85 POLB (0.64) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL5403403 0.85 ACHE (0.78) POLBKMT2ABCHEACHEBACE1
SCHEMBL15670820 0.82 POLB (0.61) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL28181000 0.80 BCHE (0.66) POLBKMT2AGRIN2BALDH1A1KDM4E
SCHEMBL15671099 0.79 ROCK2 (0.59) POLBKMT2A
SCHEMBL1420610 0.79 POLB (0.60) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL18166487 0.79 POLB (0.60) POLBKMT2AKDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R POLB 4737/4885KMT2A 2058/4885KDM1A 1128/4885
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 POLB 2260/4885KMT2A 2980/4885KDM1A 1715/4885

“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.