SCHEMBL4928790

SCHEMBL4928790

ONC(=Nc1cccc(C(F)(F)F)c1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.55
TSHR P16473 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
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
KIF11 P52732 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
TDO2 P48775 1/20 0.43
CSF1R P07333 3/20 0.43
TBXAS1 P24557 2/20 0.43
BRAF P15056 2/20 0.43
TBXA2R P21731 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 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
SCHEMBL4727684 0.82 GAA (0.51) IDO1TSHRKMT2AMEN1HTR3E
SCHEMBL29579640 0.78 IDO1 (0.58) IDO1KMT2AMEN1HTR3EHTR3B
SCHEMBL4928780 0.74 KMT2A (0.69) TSHRKMT2AMEN1KIF11RXFP1
SCHEMBL4928783 0.74 KMT2A (0.69) TSHRKMT2AMEN1KIF11RXFP1
SCHEMBL4728327 0.73 IDO1 (0.53) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10841345 0.71 CES2 (0.72) TSHRKMT2AMEN1KIF11RXFP1
SCHEMBL9002252 0.71 TSHR (0.64) TSHRKMT2AMEN1RXFP1CSF1R
SCHEMBL146909 0.70 IDO1 (0.78) IDO1TDO2
SCHEMBL16336155 0.69 HTR3E (0.58) IDO1KMT2AMEN1HTR3EHTR3B
SCHEMBL15073420 0.69 HTR3E (0.58) IDO1KMT2AMEN1HTR3EHTR3B

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 3 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
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 IDO1 1/4885TSHR 1385/4885KMT2A 1256/4885

“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.