SCHEMBL4041575

SCHEMBL4041575

C#CC(O)(c1ccc(N)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
KIF11 P52732 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAOB P27338 2/20 0.34
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.31

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
SCHEMBL202283 0.90 RAB9A (0.43) KCNN4LMNAMAPTMAPK1HTT
SCHEMBL3217833 0.82 KCNN4 (0.47) KCNN4ALDH1A1LMNAHTTUSP2
SCHEMBL11479898 0.78 KCNN4 (0.43) KCNN4ALDH1A1LMNAHTTUSP2
SCHEMBL3143169 0.77 NFE2L2 (0.46) ALDH1A1LMNARAB9AMAOBHSD11B1
SCHEMBL11485302 0.74 KCNN4 (0.40) KCNN4ALDH1A1LMNAKCNE1KCNQ1
SCHEMBL13149681 0.72 MAPT (0.46) KCNN4ALDH1A1LMNAMAPTMAPK1
SCHEMBL13149708 0.72 MAPT (0.46) KCNN4ALDH1A1LMNAMAPTMAPK1
SCHEMBL1958061 0.72 NPC1 (0.53) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL1817358 0.72 SMN1; SMN2 (0.45) ALDH1A1LMNATDP1MAOBCYP3A4
SCHEMBL18867937 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP disclosed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US disclosed
EP-1966180-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2008-09-10 EP disclosed
WO-2007078529-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2007-07-12 WO disclosed
US-20070138448-A1 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 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-20070138448-A1 Photochromic indeno-fused naphthopyrans INTS6, IPO4, NQO1 KCNN4 573/4885ALDH1A1 593/4885LMNA 1138/4885

“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.