SCHEMBL12084161

SCHEMBL12084161

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.49
▸ SLC6A2 P23975 1/20 0.40
▸ FOS P01100 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL3217764 0.89 HPGDS (0.54) HPGDSCYP1A2MAPTMEN1KMT2A
SCHEMBL12083923 0.86 HPGDS (0.54) HPGDSCSNK1D
SCHEMBL3810374 0.86 HPGDS (0.51) HPGDSSLC6A2FOSJUNNFKB1
SCHEMBL12083909 0.86 HPGDS (0.51) HPGDSCSNK1D
SCHEMBL2471757 0.85 HPGDS (0.54) HPGDSCYP1A2MAPTMEN1KMT2A
SCHEMBL14041378 0.85 HPGDS (0.51) HPGDSCYP1A2MAPTMEN1KMT2A
SCHEMBL12083724 0.84 HPGDS (0.50) HPGDSFOSJUNNFKB1NFKB2
SCHEMBL12084048 0.83 HPGDS (0.49) HPGDSCSNK1DIRAK4
SCHEMBL12083978 0.82 HPGDS (0.49) HPGDSCYP1A2MAPTMEN1KMT2A
SCHEMBL3717427 0.81 HPGDS (0.51) HPGDSCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885SLC6A2 4643/4885FOS 4630/4885

“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.

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