SCHEMBL10117949

SCHEMBL10117949

Cc1cc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
PTGS2 P35354 1/20 0.52
CYP19A1 P11511 2/20 0.49
MMP2 P08253 3/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP13 P45452 2/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ABCB1 P08183 1/20 0.45
NPBWR1 P48145 3/20 0.45

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
SCHEMBL30917347 0.87 CYP19A1 (0.60) ALDH1A1POLBCYP19A1MAPTLMNA
SCHEMBL317330 0.87 CYP19A1 (0.60) ALDH1A1POLBCYP19A1MAPTLMNA
SCHEMBL1082243 0.78 CA12 (0.47) ALDH1A1POLBCYP19A1MMP2MMP9
SCHEMBL1630724 0.77 MAPT (0.51) ALDH1A1POLBMMP2MMP9MMP8
SCHEMBL5738096 0.76 MMP13 (0.69) ALDH1A1MMP2MMP13MAPTLMNA
SCHEMBL5797966 0.76 PTGS2 (0.60) ALDH1A1PTGS2CYP19A1MAPTLMNA
SCHEMBL7518475 0.76 CYP19A1 (0.65) ALDH1A1POLBCYP19A1MMP2MMP9
SCHEMBL10122036 0.75 CYP2A6 (0.72) ALDH1A1PTGS2MAPTLMNAHPGD
SCHEMBL27765605 0.75 PTGS2 (0.59) ALDH1A1PTGS2MAPTMEN1KMT2A
SCHEMBL28534328 0.75 ALDH1A1 (0.47) ALDH1A1POLBCYP19A1MMP2MMP9

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
EP-2412706-B1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2014-10-29 EP disclosed
US-8466161-B2 Hydroxamate derivative, a production method for the same, and a pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-06-18 US disclosed
US-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-02-02 US disclosed
EP-2412706-A2 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2012-02-01 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-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HAAO, HPD, HCAR2 ALDH1A1 910/4885POLB 1921/4885PTGS2 433/4885

“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.