SCHEMBL1133447

SCHEMBL1133447

[C](=Nc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.52
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
TSHR P16473 2/20 0.39
HTR3E A5X5Y0 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
HTR3B O95264 1/20 0.35
PLAU P00749 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 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
SCHEMBL1133446 1.00 MIF (0.52) MIFALDH1A1APPTSHRHTR3E
SCHEMBL2003688 0.74
SCHEMBL4909471 0.73 MIF (0.60) MIFALDH1A1APPTSHRHTR3E
SCHEMBL156948 0.73 MIF (0.60) MIFALDH1A1APPTSHRHTR3E
SCHEMBL11489811 0.69 MIF (0.43) MIFALDH1A1TSHRMAPTMEN1
SCHEMBL132994 0.69
SCHEMBL5925 0.69
SCHEMBL22173631 0.69
SCHEMBL1332539 0.69
Phenylisothiocyanate SCHEMBL20984 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470665-B1 1-Hydroxyindole fungicides EASTMAN KODAK CO (US) 1996-04-24 EP claimed
EP-0472231-B1 2-Substituted-1-hydroxyindoles EASTMAN KODAK CO (US) 1994-10-26 EP claimed
US-5183894-A Agricultural fungicides EASTMAN KODAK COMPANY (US) 1993-02-02 US claimed
US-5118695-A 1-HYDROXYINDOLE FUNGICIDES EASTMAN KODAK COMPANY (US) 1992-06-02 US claimed
EP-0472231-A1 2-Substituted-1-hydroxyindoles EASTMAN KODAK COMPANY (US) 1992-02-26 EP claimed
EP-0470665-A1 1-Hydroxyindole fungicides EASTMAN KODAK COMPANY (US) 1992-02-12 EP claimed
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP disclosed
EP-0470665-B1 1-Hydroxyindole fungicides EASTMAN KODAK CO (US) 1996-04-24 EP disclosed
EP-0472231-B1 2-Substituted-1-hydroxyindoles EASTMAN KODAK CO (US) 1994-10-26 EP disclosed
US-5183894-A Agricultural fungicides EASTMAN KODAK COMPANY (US) 1993-02-02 US disclosed
US-5118695-A 1-HYDROXYINDOLE FUNGICIDES EASTMAN KODAK COMPANY (US) 1992-06-02 US disclosed
EP-0472231-A1 2-Substituted-1-hydroxyindoles EASTMAN KODAK COMPANY (US) 1992-02-26 EP disclosed
EP-0470665-A1 1-Hydroxyindole fungicides EASTMAN KODAK COMPANY (US) 1992-02-12 EP 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-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 MIF 4294/4885ALDH1A1 948/4885APP 2210/4885

“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.