SCHEMBL15670588

SCHEMBL15670588

NC1CCC(NCc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
KMT2A Q03164 3/20 0.60
KDM1A O60341 2/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
GRIN2B Q13224 2/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
EPHX1 P07099 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4531997 0.93 POLB (0.86) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL16464079 0.84 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL3087992 0.84 POLB (0.76) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL4523282 0.79 POLB (0.64) POLBKMT2AKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL6465958 0.79 POLB (0.51) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL5403403 0.79 ACHE (0.78) POLBKMT2ABCHEACHEBACE1
Hydrochloric Acid SCHEMBL6465949 0.79 POLB (0.51) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL15670820 0.77 POLB (0.61) POLBKMT2AKDM1AMAOAMAOB
SCHEMBL16665158 0.76 TACR1 (0.48) POLBKMT2AMAOAMAOBALDH1A1
SCHEMBL18047320 0.76 TACR1 (0.48) POLBKMT2AMAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914590-B1 NOVEL ROCK INHIBITORS PH PHARMA CO LTD (KR) 2016-11-30 EP disclosed
US-9394286-B2 Rock inhibitors AMAKEM NV (BE) 2016-07-19 US disclosed
US-20150299173-A1 NOVEL ROCK INHIBTORS AMAKEM NV (BE) 2015-10-22 US disclosed
EP-2914590-A1 NOVEL ROCK INHIBITORS Amakem NV (BE) 2015-09-09 EP disclosed
WO-2014068035-A1 NOVEL ROCK INHIBITORS AMAKEM NV (BE) 2014-05-08 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 (1 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-20150299173-A1 NOVEL ROCK INHIBTORS ROCK1, ROCK2, CIT POLB 3481/4885KMT2A 3390/4885KDM1A 1582/4885

“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.