SCHEMBL15060780

SCHEMBL15060780

CCOCCNc1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 11/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.42
PTGER4 P35408 1/20 0.42
HCAR3 P49019 1/20 0.40
PKM P14618 2/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KAT2B Q92831 3/20 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
SCHEMBL12210248 0.89 LMNA (0.56) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL13274179 0.82 LMNA (0.51) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL18784834 0.81 LMNA (0.44) LMNAMAPTALDH1A1PKMPOLB
SCHEMBL29719483 0.79 LMNA (0.50) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL20797515 0.79 KMT2A (0.53) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL12210037 0.79 LMNA (0.50) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL18496266 0.79 LMNA (0.50) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL20797635 0.79 KMT2A (0.53) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL16501018 0.78 L3MBTL1 (0.38) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL15060781 0.77 ADRB2 (0.39) MAPTALDH1A1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2013-11-14 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-8471038-B2 Bicyclic heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-06-25 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 US disclosed
US-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-12-01 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-20110294804-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 LMNA 2361/4885MAPT 3436/4885ALDH1A1 1411/4885
US-20130303535-A1 NOVEL BICYCLIC HETEROCYCLIC COMPOUND OPRL1, SCN1B, OPRD1 LMNA 2361/4885MAPT 3436/4885ALDH1A1 1411/4885

“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.