SCHEMBL6190865

SCHEMBL6190865

Nc1ccccc1-c1ccccc1-c1nnco1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.59
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
PDK2 Q15119 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
TLR8 Q9NR97 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ATAD2 Q6PL18 1/20 0.41

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
SCHEMBL30289964 0.94 NOTUM (0.61) NOTUMALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL7395744 0.94 NOTUM (0.61) NOTUMALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL11498426 0.81 NOTUM (0.53) NOTUMKMT2ATSHRLMNAPDK2
SCHEMBL4276979 0.78 NOTUM (0.70) NOTUMKMT2ATSHRNPC1RAB9A
SCHEMBL3624979 0.77 NOTUM (0.59) NOTUMKMT2ATSHRLMNAPDK2
SCHEMBL24026539 0.76 NOTUM (0.48) NOTUMALDH1A1L3MBTL1KMT2ATSHR
SCHEMBL3283250 0.76 NOTUM (0.66) NOTUMALDH1A1KMT2ATSHRNPC1
SCHEMBL4752346 0.74 NOTUM (1.00) NOTUMALDH1A1KMT2ATSHRLMNA
Fenadiazole SCHEMBL555484 0.74 NOTUM (0.61) NOTUMALDH1A1KMT2ATSHRLMNA
SCHEMBL21061962 0.74 NOTUM (0.61) NOTUMKMT2ATSHRLMNAPDK2

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
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 NOTUM 3478/4885ALDH1A1 1628/4885L3MBTL1 2706/4885

“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.