SCHEMBL3103644

SCHEMBL3103644

CCOC(=O)C(Cc1cnn(Cc2ccccc2Cl)c1)C(=O)N(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KLKB1 P03952 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3100513 0.90 HPGD (0.43) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL3084436 0.89 MMP8 (0.44) ALDH1A1LMNAKMT2ATP53MMP8
SCHEMBL3093281 0.89 ALDH1A1 (0.41) ALDH1A1HPGDLMNAEPHX2TSHR
SCHEMBL3087842 0.88 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKLKB1KMT2A
SCHEMBL3096891 0.86 DRD2 (0.39) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL3092958 0.83 GRM2 (0.41) ALDH1A1HPGDLMNAMAPTNPC1
SCHEMBL3093262 0.82 KMT2A (0.43) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL3469954 0.80 ATM (0.46) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL3085097 0.79 TP53 (0.43) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL3090818 0.79 L3MBTL1 (0.43) ALDH1A1MAPTHSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 617/4885HPGD 1736/4885LMNA 3803/4885

“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.