SCHEMBL4407828

SCHEMBL4407828

CC(C)(C)Cc1nnnn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 2/20 0.55
P2RX7 Q99572 2/20 0.49
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TSHR P16473 2/20 0.45
SLC9A1 P19634 1/20 0.44
GRM2 Q14416 1/20 0.44
MAPK1 P28482 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL15117305 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL156417 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL5592781 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4406847 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL4407027 0.80 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL96819 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL1414345 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
Ammonia Solution, Strong SCHEMBL14874912 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL96820 0.79 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1LMNAP2RX7
SCHEMBL1414133 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNAP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US 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 (2 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 617/4885KMT2A 1948/4885MEN1 2509/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 ALDH1A1 2036/4885KMT2A 2336/4885MEN1 725/4885

“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.