SCHEMBL6612296

SCHEMBL6612296

Cc1cc([N+](=O)[O-])ccc1C(C#N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 4/20 0.45
MAPT P10636 6/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL6612295 1.00 ALDH1A1 (0.47) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL14222278 0.84 MAPT (0.46) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL16971211 0.79 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL509923 0.79 MEN1 (0.39) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL4554198 0.77 TSHR (0.47) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL4554197 0.77 TSHR (0.47) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL4397138 0.75 TDP1 (0.47) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL18993988 0.75 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL31406425 0.74 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL31406433 0.74 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCYP3A4MAPT

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-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 ALDH1A1 824/4885TDP1 3927/4885TSHR 1666/4885

“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.