SCHEMBL1948730

SCHEMBL1948730

Cc1ccccc1COc1ccccc1-c1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.49
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 4/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
HTR1A P08908 1/20 0.40
BRD4 O60885 3/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13564334 0.86 TSHR (0.38) SGMS2CDK4CCND1LMNATSHR
SCHEMBL1950526 0.83 LMNA (0.52) SGMS2ADRA1AADRA1DADRA1BHTR1A
SCHEMBL1948643 0.81 PLAU (0.48) SGMS2KMT2A
SCHEMBL1949264 0.81 BRD4 (0.48) ADRA1AADRA1DADRA1BHTR1ABRD4
SCHEMBL1948178 0.80 BRD4 (0.56) SGMS2ADRA1AADRA1DADRA1BHTR1A
Benzene SCHEMBL27958568 0.78 GUSB (0.45) BRD4
SCHEMBL1950676 0.77 SGMS2 (0.50) SGMS2ADRA1AADRA1DADRA1BHTR1A
SCHEMBL8306245 0.77 IDO1 (0.47) LMNATSHRKMT2A
SCHEMBL30708547 0.77 IDO1 (0.47) LMNATSHRKMT2A
SCHEMBL1948580 0.77 IDO1 (0.42) ADRA1AADRA1DADRA1BBRD4

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 SGMS2 3436/4885CDK4 740/4885CCND1 306/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT SGMS2 3436/4885CDK4 740/4885CCND1 306/4885

“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.