SCHEMBL436495

SCHEMBL436495

O/N=C\c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.38
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
NR3C1 P04150 1/20 0.36
PPARG P37231 1/20 0.36
ALOX15 P16050 1/20 0.36
RIPK1 Q13546 2/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CRHBP P24387 1/20 0.33

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
SCHEMBL27927354 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1LOXL2RAB9A
SCHEMBL469111 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1LOXL2RAB9A
SCHEMBL21866491 0.78 L3MBTL1 (0.51) ALDH1A1KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL1270980 0.78 L3MBTL1 (0.42) ALDH1A1KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL21866490 0.78 L3MBTL1 (0.51) ALDH1A1KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL11885260 0.78 L3MBTL1 (0.42) ALDH1A1KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL1270979 0.78 L3MBTL1 (0.42) ALDH1A1KDM4EL3MBTL1RAB9ASMN1; SMN2
SCHEMBL7970830 0.76 LOXL2 (0.45) ALDH1A1LOXL2SMN1; SMN2NPC1MAPT
SCHEMBL7970832 0.76 LOXL2 (0.45) ALDH1A1LOXL2SMN1; SMN2NPC1MAPT
SCHEMBL10666814 0.76 RECQL (0.42) ALDH1A1KDM4EL3MBTL1LOXL2RAB9A

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-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK ALDH1A1 3009/4885KDM4E 1687/4885L3MBTL1 1045/4885

“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.