SCHEMBL4727684

SCHEMBL4727684

ONC(=Nc1cccc(C(F)(F)F)c1)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 3/20 0.49
P4HB P07237 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TBXA2R P21731 2/20 0.43
TBXAS1 P24557 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
BRAF P15056 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
SCHEMBL4928790 0.82 IDO1 (0.55) KMT2AIDO1HTR3EHTR3BHTR3A
SCHEMBL4728327 0.79 IDO1 (0.53) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4727681 0.76 GAA (0.58) GAAKMT2APOLBP4HBALOX15
SCHEMBL4727678 0.76 GAA (0.58) GAAKMT2APOLBP4HBALOX15
SCHEMBL21372683 0.71 IDO1 (0.46) POLBIDO1HTR3EHTR3BHTR3A
SCHEMBL14214653 0.70 GAA (0.57) GAAKMT2APOLBP4HBALOX15
SCHEMBL146909 0.70 IDO1 (0.78) POLBIDO1
SCHEMBL29579640 0.70 IDO1 (0.58) GAAKMT2AIDO1HTR3EHTR3B
SCHEMBL2419986 0.68 RXFP1 (0.48) GAAIDO1HTR3EHTR3BHTR3A
SCHEMBL12289344 0.68 RXFP1 (0.48) GAAIDO1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US disclosed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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 (1 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT GAA 832/4885KMT2A 1256/4885POLB 4329/4885

“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.