SCHEMBL1949033

SCHEMBL1949033

N#Cc1ccc(COc2ccccc2-c2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 1/20 0.43
BRD4 O60885 3/20 0.42
IDO1 P14902 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1950683 0.86 MRGPRX4 (0.48) CYP11B1CYP11B2BRD4CYP4F2CYP4A11
SCHEMBL1948178 0.85 BRD4 (0.56) BRD4IDO1KMT2AMAPK1CNR1
SCHEMBL12676451 0.84 KMT2A (0.55) BRD4IDO1KMT2AKDM4EALDH1A1
SCHEMBL1949264 0.83 BRD4 (0.48) MAOBBRD4IDO1KMT2AALDH1A1
SCHEMBL1948653 0.83 SMN1; SMN2 (0.47) BRD4IDO1KMT2AKDM4EALDH1A1
SCHEMBL13517522 0.81 IDO1 (0.48) BRD4IDO1KMT2AALDH1A1HSD17B10
SCHEMBL1948643 0.81 PLAU (0.48) MAOBKMT2AKDM4EALDH1A1NPC1
SCHEMBL12676454 0.80 PTPN1 (0.43) MAOBBRD4IDO1KMT2AKDM4E
SCHEMBL12544297 0.80 BRD4 (0.42) BRD4IDO1KMT2AKDM4EALDH1A1
SCHEMBL13564266 0.79 RXRA (0.64) BRD4IDO1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT MAOB 28/4885CYP11B1 1122/4885CYP11B2 1149/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT MAOB 28/4885CYP11B1 1122/4885CYP11B2 1149/4885

“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.