SCHEMBL4408138

SCHEMBL4408138

CCCc1nnnn1CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HTR1A P08908 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC9A1 P19634 1/20 0.31
TP53 P04637 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
SOS1 Q07889 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
SCHEMBL4409185 0.87 ALDH1A1 (0.42) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL4404245 0.85 ALDH1A1 (0.41) ALDH1A1HTR1AKMT2ALMNAMEN1
SCHEMBL4412065 0.84 CYP1A2 (0.43) ALDH1A1KMT2ALMNAPOLBCYP1A2
SCHEMBL4409151 0.84 ALDH1A1 (0.40) ALDH1A1LMNATSHRSLC9A1
SCHEMBL4033007 0.83 ALDH1A1 (0.42) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL2056129 0.81
SCHEMBL4409158 0.81 KMT2A (0.45) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL7304012 0.79 ALDH1A1 (0.40) ALDH1A1HTR1AKMT2ALMNACYP1A2
SCHEMBL4409119 0.79 CNR2 (0.49) ALDH1A1KMT2ALMNACYP1A2MEN1
SCHEMBL4408010 0.79 ALDH1A1 (0.33) ALDH1A1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885HTR1A 3784/4885KMT2A 1948/4885

“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.