SCHEMBL3732073

SCHEMBL3732073

CCOC(=O)Cc1nc(NCC(F)(F)c2ccccc2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
PTGDR Q13258 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
P2RX7 Q99572 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRB P10828 1/20 0.37
PPID Q08752 1/20 0.37

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
SCHEMBL3732117 0.87 F2 (0.40) F2PTGDRL3MBTL1MAPTLMNA
SCHEMBL6986633 0.76 ALDH1A1 (0.42) F2ALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL3746447 0.75 F2 (0.49) F2
SCHEMBL8234810 0.75 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNARAB9AKDM4E
SCHEMBL7110934 0.74 NLRP3 (0.40) L3MBTL1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3742052 0.71 RAB9A (0.44) ALDH1A1MAPTLMNARAB9AKDM4E
SCHEMBL5323796 0.70 CNR1 (0.36) F2PTGDRMAPTLMNACNR1
SCHEMBL25452160 0.69 RAB9A (0.42) ALDH1A1MAPTLMNARAB9AKDM4E
SCHEMBL11997726 0.69 GABRP (0.43) ALDH1A1MAPTRAB9AKDM4EMEN1
SCHEMBL23460615 0.68 F2 (0.61) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 F2 1/4885PTGDR 263/4885ALDH1A1 3141/4885

“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.