SCHEMBL12075852

SCHEMBL12075852

CCc1cc(CCCCN)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KAT2B Q92831 2/20 0.42
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
GPR84 Q9NQS5 2/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14390 0.84 TSHR (0.53) POLBHTTKAT2BKCNH2ALDH1A1
SCHEMBL7812138 0.82 MAOA (0.48) GPR84MAOA
SCHEMBL9570744 0.82 HTT (0.57) POLBHTTALDH1A1LOXL2NPC1
SCHEMBL12061436 0.80 HTT (0.38) POLBHTTKAT2BKCNH2ALDH1A1
SCHEMBL12075817 0.79 TAAR1 (0.52) ALDH1A1GPR84MAOA
SCHEMBL5495288 0.78 HTT (0.57) POLBHTTALDH1A1LOXL2NPC1
SCHEMBL12075401 0.77 HTR2A (0.44) GPR84MAOA
SCHEMBL12075818 0.77 MAOA (0.43) GPR84MAOA
SCHEMBL19829355 0.76 KCNH2 (0.55) POLBHTTKCNH2GPR84PKM
SCHEMBL12062435 0.75 MAOA (0.42) GPR84MAOA

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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 (2 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT POLB 525/4885HTT 1768/4885KAT2B 3343/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT POLB 525/4885HTT 1768/4885KAT2B 3343/4885

“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.