Sugi Predict

Sugi Predict / Compounds / SCHEMBL1800375

SCHEMBL1800375

SCHEMBL1800375

O=C(Nc1cc(Cl)c(Br)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.42
▸ PDK2 Q15119 2/20 0.42
▸ PDK3 Q15120 2/20 0.42
▸ PDK4 Q16654 2/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ ABCC9 O60706 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ KCNJ8 Q15842 1/20 0.37
▸ AR P10275 2/20 0.37
▸ CXCR2 P25025 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36

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
SCHEMBL13592935 0.84 CXCR2 (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL239425 0.84 PDK1 (0.40) PDK1PDK2PDK3PDK4MEN1
SCHEMBL1797636 0.83 AR (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL11252461 0.81 MAPT (0.50) KMT2APOLBMAPTLMNAXBP1
SCHEMBL7787982 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL31495022 0.81 AR (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL23291691 0.80 MAPT (0.46) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6841979 0.79 ALDH1A1 (0.43) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL8532046 0.77 PDK1 (0.40) PDK1PDK2PDK3PDK4MEN1
SCHEMBL12350643 0.77 MAPK1 (0.53) PDK1PDK2PDK3PDK4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PDK1 1635/4885PDK2 1182/4885PDK3 1407/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 PDK1 1635/4885PDK2 1182/4885PDK3 1407/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 PDK1 1635/4885PDK2 1182/4885PDK3 1407/4885

“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.