SCHEMBL4430875

SCHEMBL4430875

COc1ccc(-c2cc(C(=O)NN)on2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
KDM4E B2RXH2 2/20 0.69
RAB9A P51151 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
RXFP1 Q9HBX9 2/20 0.63
MAPT P10636 5/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 2/20 0.57
NAAA Q02083 1/20 0.57
CSGALNACT1 Q8TDX6 1/20 0.56
PRMT5 O14744 1/20 0.55
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL3981454 0.84 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL2724085 0.84 SMN1; SMN2 (0.66) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL8880593 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL15498865 0.83 KDM4E (0.49) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL2730319 0.82 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3055067 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL21561297 0.80 NAAA (0.72) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL3981746 0.80 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL4433418 0.80 MEN1 (0.61) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL11972337 0.80 RAB9A (0.57) SMN1; SMN2KDM4ERAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 SMN1; SMN2 2612/4885KDM4E 647/4885RAB9A 3404/4885

“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.