SCHEMBL5456580

SCHEMBL5456580

COc1ccc(C[CH]c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP19A1 P11511 2/20 0.53
KMT2A Q03164 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 6/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 2/20 0.47
PTPN1 P18031 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL9153228 0.83 RAB9A (0.55) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL5053681 0.82 CA12 (0.45) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL3236020 0.77 ALDH1A1 (0.60) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL1194908 0.77 ALDH1A1 (0.57) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL3236036 0.77 ALDH1A1 (0.60) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL1194905 0.77 ALDH1A1 (0.57) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL28460573 0.77 CYP19A1 (0.76) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL28460574 0.77 CYP19A1 (0.76) ALDH1A1CYP19A1KMT2ANPC1SMN1; SMN2
SCHEMBL6015558 0.75 CYP1A2 (0.51) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL3825495 0.75 PTPN1 (0.67) ALDH1A1KMT2ANPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994345-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US claimed
US-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors ASTRAZENECA AB 2007-09-13 US disclosed
EP-1716155-A1 SUBSTITUTED THIENO¬2,3-D|PYRIMIDINES AS INHIBITORS OF TIE2 AstraZeneca AB (SE) 2006-11-02 EP disclosed
WO-2005075483-A1 SUBSTITUTED THIENO - AND THIAZOLO - [2, 3-D] PYRIDINES AS INHIBITORS OF TIE2 ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-1129207-A1 CATALYTIC ANTIBODIES AND METHOD FOR PRODUCING CHROMANES BY CYCLIZATION WITH SAID ANTIBODIES BASF AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
WO-2000028063-A1 CATALYTIC ANTIBODIES AND METHOD FOR PRODUCING CHROMANES BY CYCLIZATION WITH SAID ANTIBODIES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
WO-2000028330-A1 METHOD FOR SELECTING CATALYTIC ANTIBODIES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
WO-2000027884-A1 ANTIBODIES, MINI-ANTIBODIES OR ANTIBODY FRAGMENTS BINDING TO VITAMIN E AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed
EP-0247431-A1 Substituted 6-hydroxymethylcarbapenem antibiotics, process for their preparation and their use BAYER AG (DE) 1987-12-02 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-20070213367-A1 Substituted 3-cyanoquinolines as MEK inhibitors NRAS, BRAF, MAPK1 ALDH1A1 1951/4885CYP19A1 1425/4885KMT2A 566/4885

“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.