SCHEMBL3319867

SCHEMBL3319867

CC1(C(=O)OC(=O)C(F)(F)F)CCN(c2ccncc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.54
TSHR P16473 7/20 0.54
HIF1A Q16665 4/20 0.51
CYP2D6 P10635 10/20 0.48
CYP3A4 P08684 8/20 0.48
CYP1A2 P05177 5/20 0.47
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL3319861 0.80 TSHR (0.55) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL3315322 0.77 CYP2C9 (0.51) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL29514514 0.76 CYP2C9 (0.59) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL1025273 0.71 ITGB3 (0.45) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL3096735 0.71 CYP2C9 (1.00) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL3095008 0.69 CYP2C9 (0.83) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL6187083 0.69 HIF1A (0.60) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL23875490 0.69 CHKA (0.59) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL484823 0.68 HIF1A (0.74) CYP2C9TSHRHIF1ACYP2D6CYP3A4
SCHEMBL13168270 0.68 CYP2C9 (0.62) CYP2C9TSHRHIF1ACYP2D6CYP3A4

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-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 EP 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CYP2C9 460/4885TSHR 1617/4885HIF1A 4623/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CYP2C9 460/4885TSHR 1617/4885HIF1A 4623/4885

“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.