SCHEMBL3053405

SCHEMBL3053405

COC(=O)c1cn2cccc(C(F)(F)F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.43
ALDH1A1 P00352 4/20 0.41
NOTUM Q6P988 4/20 0.41
ALDH1A2 O94788 1/20 0.41
ALDH1A3 P47895 1/20 0.41
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 2/20 0.37
SRC P12931 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 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
SCHEMBL1583890 0.86 RBP4 (0.38) RBP4ALDH1A1NOTUMALDH1A2ALDH1A3
SCHEMBL30832512 0.86 KDM4E (0.53) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL1583911 0.83 PTGS1 (0.50) RBP4KDM4E
SCHEMBL1583275 0.82 RBP4 (0.40) RBP4MAPT
SCHEMBL1583390 0.77 RXFP1 (0.47) RBP4ALDH1A1NOTUMKDM4ESMN1; SMN2
SCHEMBL1583985 0.77 NOTUM (0.40) RBP4ALDH1A1NOTUMKDM4ESMN1; SMN2
SCHEMBL1584312 0.74 RBP4 (0.42) RBP4ALDH1A1NOTUMKDM4ESMN1; SMN2
SCHEMBL24857536 0.74 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL3691617 0.74 NOTUM (0.38) RBP4ALDH1A1NOTUMKDM4ESMN1; SMN2
SCHEMBL1892138 0.73 NPSR1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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 (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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 RBP4 1868/4885ALDH1A1 1337/4885NOTUM 1173/4885
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 RBP4 2908/4885ALDH1A1 1772/4885NOTUM 3110/4885

“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.