SCHEMBL3434574

SCHEMBL3434574

O=C(O)c1cc2cc(Br)ccc2cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
DTYMK P23919 1/20 0.46
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
CDK2 P24941 1/20 0.40
CASP6 P55212 1/20 0.40
EIF4E P06730 1/20 0.40

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
SCHEMBL11581177 0.82 CDK2 (0.55) DTYMKAKR1C2KDM4EMEN1KMT2A
SCHEMBL30566926 0.82 DTYMK (0.62) GPR35DTYMKAKR1C2AKR1C1GRIN1
SCHEMBL1228589 0.82 DTYMK (0.62) GPR35DTYMKAKR1C2AKR1C1GRIN1
SCHEMBL132963 0.82 GPR35 (0.50) GPR35DTYMKAKR1C2AKR1C1KDM4E
SCHEMBL14503732 0.81 DTYMK (0.46) GPR35DTYMKKDM4EMEN1KMT2A
SCHEMBL27745774 0.80 GPR35 (0.49) GPR35DTYMKAKR1C2AKR1C1KDM4E
SCHEMBL28588348 0.79 AKR1C3 (0.54) AKR1C2AKR1C1KDM4EMEN1KMT2A
SCHEMBL8147367 0.76 TSHR (0.43) KDM4EMEN1KMT2ATSHR
SCHEMBL8155350 0.76 TSHR (0.43) KDM4EMEN1KMT2ATSHR
SCHEMBL11697530 0.75 DTYMK (0.60) GPR35DTYMKTSHRCASP6

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-8476454-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2013-07-02 US disclosed
US-20100233166-A1 NOVEL IDO INHIBITORS AND METHODS OF USE PRENDERGAST GEORGE C 2010-09-16 US disclosed
US-7714139-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDCIAL RESEARCH (US) 2010-05-11 US disclosed
EP-1606285-A4 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INST MEDICAL RES (US) 2009-03-18 EP disclosed
US-20070173524-A1 \"Novel ido inhibitors and methods of use LANKENAU INSTITUTE FOR MEDICAL RESEARCH 2007-07-26 US disclosed
EP-1606285-A1 NOVEL IDO INHIBITORS AND METHODS OF USE Lankenau Institute for Medical Research (US) 2005-12-21 EP disclosed
WO-2004094409-A1 NOVEL IDO INHIBITORS AND METHODS OF USE LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2004-11-04 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-20070173524-A1 \"Novel ido inhibitors and methods of use IDO1, IDO2, INMT GPR35 1927/4885DTYMK 27/4885AKR1C2 1865/4885
US-20100233166-A1 NOVEL IDO INHIBITORS AND METHODS OF USE IDO1, IDO2, INMT GPR35 2230/4885DTYMK 30/4885AKR1C2 2129/4885

“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.