SCHEMBL599125

SCHEMBL599125

CC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ALDH1A1 P00352 5/20 0.42
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP14 P54578 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
Hydrochloric Acid SCHEMBL599144 0.99 LMNA (0.41) LMNAALDH1A1PKMSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL3002568 0.93 HTR7 (0.41) LMNAALDH1A1PKMSMN1; SMN2HTT
SCHEMBL597813 0.85 ACHE (0.39) ALDH1A1PKMMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL598675 0.84 ACHE (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1628762 0.83 KMT2A (0.36) ALDH1A1PKMSMN1; SMN2HTTMAPT
SCHEMBL10147408 0.83 KMT2A (0.40) LMNAALDH1A1PKMMAPTKDM4E
SCHEMBL598268 0.82 ALDH1A1 (0.48) LMNAALDH1A1PKMSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL599366 0.81 ALDH1A1 (0.47) LMNAALDH1A1PKMSMN1; SMN2HTT
SCHEMBL599063 0.81 ALDH1A1 (0.49) LMNAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL599132 0.80 KMT2A (0.47) ALDH1A1SMN1; SMN2HTTMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP claimed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP claimed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US claimed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US claimed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 WO claimed
EP-2445877-B1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS INC (US) 2014-07-23 EP disclosed
EP-2445877-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Nanotherapeutics, Inc. (US) 2012-05-02 EP disclosed
US-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same NANOTHERAPEUTICS, INC. 2012-04-12 US disclosed
US-8114894-B2 Bicyclic compounds and methods of making and using same NANOTHERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOSHIFT, LLC 2010-08-05 US disclosed
WO-2010065743-A2 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME NANOTHERAPEUTICS, INC. (US) 2010-06-10 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 (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-20120088793-A1 Bicyclic Compounds and Methods of Making and Using Same HTR2C, HTR3A, HTR3C LMNA 3812/4885ALDH1A1 1162/4885PKM 2993/4885
US-20100197723-A1 BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME HTR2C, HTR3A, HTR3C LMNA 3812/4885ALDH1A1 1162/4885PKM 2993/4885

“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.