SCHEMBL6201684

SCHEMBL6201684

CCCc1cc(O)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MCHR1 Q99705 1/20 0.49
EIF4A1 P60842 9/20 0.49
ELANE P08246 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPBWR1 P48145 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL6204514 0.84 KDM4E (0.50) KDM4EMCHR1EIF4A1LMNAMAPT
SCHEMBL6846654 0.79 KMT2A (0.51) KDM4EELANEALDH1A1LMNAMAPT
SCHEMBL4659474 0.78 ELANE (0.50) ELANEALDH1A1HPGDKMT2A
SCHEMBL28585527 0.78 KDM4E (0.52) KDM4EMCHR1ALDH1A1LMNAMAPT
SCHEMBL28603449 0.78 KDM4E (0.52) KDM4EMCHR1ALDH1A1LMNAMAPT
SCHEMBL6201951 0.78 MCHR1 (0.47) KDM4EMCHR1EIF4A1ALDH1A1MAPT
SCHEMBL14127817 0.77 KDM4E (0.55) KDM4EMCHR1ALDH1A1LMNAMAPT
SCHEMBL6596709 0.75 ALDH1A1 (0.47) ELANEALDH1A1MEN1KMT2A
SCHEMBL1257817 0.75 ELANE (0.72) EIF4A1ELANEALDH1A1LMNAMAPT
SCHEMBL2910393 0.74 ALDH1A1 (0.67) EIF4A1ELANEALDH1A1HPGDMEN1

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-1451156-A4 4-AMINOQUINOLINE COMPOUNDS MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050009815-A1 4-Aminoquinoline compounds DEVITA ROBERT J (US) 2005-01-13 US disclosed
EP-1451156-A1 4-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045920-A1 4-AMINOQUINOLINE COMPOUNDS MERCK & CO., INC. (US) 2003-06-05 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-20050009815-A1 4-Aminoquinoline compounds MCHR1, MCHR2, MC5R KDM4E 480/4885MCHR1 1/4885EIF4A1 739/4885

“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.