SCHEMBL13719371

SCHEMBL13719371

CC(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ SLC9A1 P19634 1/20 0.46
▸ IL33 O95760 2/20 0.46
▸ PKM P14618 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PRMT5 O14744 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL16316318 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL622199 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL623536 0.81 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL3400235 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL16924614 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL13719145 0.78 MEN1 (0.42) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL6394577 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL6731240 0.75 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL13718652 0.74 MAPT (0.48) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL13719362 0.73 MAPT (0.57) ALDH1A1KMT2AMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 — — US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — 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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885KMT2A 700/4885MAPT 4848/4885

“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.

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