SCHEMBL5113271

SCHEMBL5113271

Fc1cccc(NNc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CTSD P07339 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
GFER P55789 1/20 0.46
KCNK3 O14649 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
IDO1 P14902 1/20 0.46
NFE2L2 Q16236 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL31002670 0.81 MEN1 (0.68) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL1118619 0.81 MEN1 (0.68) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL2478920 0.81 MEN1 (0.48) MEN1KMT2AGAAALDH1A1NPC1
Hydrochloric Acid SCHEMBL1408626 0.79 MEN1 (0.47) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL22968438 0.79 MEN1 (0.47) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL15806544 0.79 DEPTOR (0.47) MEN1KMT2AGAAALDH1A1NPC1
SCHEMBL5360716 0.79 RAPGEF4 (0.48) MEN1KMT2AGAAALDH1A1NPC1
Phenylhydrazine SCHEMBL19642856 0.77 IDO1 (0.61) MEN1KMT2AGAATDP1NPC1
Hydrochloric Acid SCHEMBL1807762 0.77 RAPGEF4 (0.47) MEN1KMT2AGAAALDH1A1NPC1
Hydrochloric Acid SCHEMBL28009377 0.77 DEPTOR (0.46) MEN1KMT2AGAAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed

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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MEN1 2912/4885KMT2A 4285/4885GAA 4185/4885

“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.