SCHEMBL1834558

SCHEMBL1834558

O=C(O)c1nn[nH]c1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.53
KDM4E B2RXH2 8/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
TGFBR1 P36897 3/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
P4HTM Q9NXG6 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
BLM P54132 2/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL20028652 0.78 KDM4E (0.46) PIN1KDM4ELMNACYP1A2POLB
SCHEMBL29852216 0.74 PIN1 (0.53) PIN1KDM4EKDM6BKDM4AKDM5C
SCHEMBL23294706 0.74 PIN1 (0.53) PIN1KDM4EKDM6BKDM4AKDM5C
SCHEMBL27901735 0.74 KDM4E (0.48) KDM4ETGFBR1LMNAL3MBTL1P4HTM
SCHEMBL29799073 0.74 TACR3 (0.44) PIN1TGFBR1CYP1A2TP53NPC1
SCHEMBL21296849 0.74 TACR3 (0.44) PIN1TGFBR1CYP1A2TP53NPC1
SCHEMBL2791425 0.73 TGFBR1 (0.53) PIN1KDM4ETGFBR1LMNAL3MBTL1
SCHEMBL28496295 0.73 TGFBR1 (0.44) PIN1KDM4EKDM6BKDM4AKDM5C
SCHEMBL3978747 0.73 KDM4E (0.46) PIN1KDM4ETGFBR1LMNAL3MBTL1
SCHEMBL7991915 0.71 TGFBR1 (0.57) PIN1KDM4ETGFBR1CYP1A2ALDH1A1

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
EP-2318472-B1 ORGANIC LIGHT-EMITTING DIODES FROM HOMOLEPTIC SQUARE PLANAR COMPLEXES UNIV NORTH TEXAS (US) 2017-08-23 EP disclosed
US-8580397-B2 Organic light-emitting diodes from homoleptic square planar complexes UNIVERSITY OF NORTH TEXAS (US) 2013-11-12 US disclosed
US-20110260145-A1 ORGANIC LIGHT-EMITTING DIODES FROM HOMOLEPTIC SQUARE PLANAR COMPLEXES UNIVERSITY OF NORTH TEXAS (US) 2011-10-27 US disclosed
US-7960547-B2 Transition metal complexes with carbene ligands and their application Cheng, Chien-Hong (TW) 2011-06-14 US disclosed
EP-2318472-A1 ORGANIC LIGHT-EMITTING DIODES FROM HOMOLEPTIC SQUARE PLANAR COMPLEXES University Of North Texas (US) 2011-05-11 EP disclosed
WO-2010016990-A1 ORGANIC LIGHT-EMITTING DIODES FROM HOMOLEPTIC SQUARE PLANAR COMPLEXES UNIVERSITY OF NORTH TEXAS (US) 2010-02-11 WO disclosed
US-20090149653-A1 Transition metal complexes with carbene ligands and their application Cheng, Chien-Hong (TW) 2009-06-11 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-20090149653-A1 Transition metal complexes with carbene ligands and their application CCRL2, L1CAM, CHI3L2 PIN1 944/4885KDM4E 3711/4885KDM6B 3326/4885
US-20110260145-A1 ORGANIC LIGHT-EMITTING DIODES FROM HOMOLEPTIC SQUARE PLANAR COMPLEXES PTPRS, PTPRO, PTPRZ1 PIN1 129/4885KDM4E 3191/4885KDM6B 2910/4885

“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.