SCHEMBL1759307

SCHEMBL1759307

O=C(O)c1cccc(-c2c[nH]cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
AXL P30530 2/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
MAP2K4 P45985 2/20 0.47
DDT P30046 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
KEAP1 Q14145 1/20 0.45
CA12 O43570 1/20 0.43

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 SCHEMBL1502412 0.98 KMO (0.51) KMOCD74MIFAXLRXRA
SCHEMBL16432780 0.85 CCNT1 (0.49) AXLMAP2K4MAPK1
SCHEMBL12647571 0.85 MAP4K4 (0.49)
SCHEMBL12664108 0.81 ALOX5 (0.38) KMOAXLRXRARXRB
SCHEMBL1502367 0.81 CDK8 (0.53) AXLKDM4EKDM4CCA12CA1
SCHEMBL1502364 0.81 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19085000 0.80 KDM4C (0.58) KMOKDM4EALDH1A1KDM4C
SCHEMBL7728110 0.80 KMT2A (0.60) MAPK1KDM4ENPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1502313 0.79 KDM4E (0.45) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL14564388 0.79 KMO (0.44) KMOAXLKDM4ENPC1ALDH1A1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-11584717-B2 MIF modulators YALE UNIVERSITY (US) 2023-02-21 US disclosed
US-20190270706-A1 MIF MODULATORS UNIV YALE (US) 2019-09-05 US disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP 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-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 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-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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 (6 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-11584717-B2 MIF modulators MIF, HMGB2, HMGB3 KMO 3064/4885CD74 15/4885MIF 1/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KMO 649/4885CD74 4840/4885MIF 4702/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT KMO 6/4885CD74 96/4885MIF 49/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT KMO 6/4885CD74 96/4885MIF 49/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB KMO 626/4885CD74 4843/4885MIF 4704/4885
US-20190270706-A1 MIF MODULATORS MIF, HMGB2, HMGB3 KMO 3064/4885CD74 15/4885MIF 1/4885

“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.