SCHEMBL8259200

SCHEMBL8259200

CC1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 5/20 0.60
MAPK1 P28482 3/20 0.60
HTT P42858 3/20 0.60
ALDH1A1 P00352 4/20 0.59
CTPS1 P17812 1/20 0.59
ACHE P22303 1/20 0.58
CTSB P07858 1/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 3/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 2/20 0.54
GPR174 Q9BXC1 2/20 0.54
MITF O75030 1/20 0.50
CCR6 P51684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CSF1R P07333 1/20 0.50

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
SCHEMBL1274938 0.84 HTT (0.73) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL30784064 0.84 MAPT (0.60) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL11507421 0.84 HTT (0.56) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL3436179 0.84 KMT2A (0.56) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL28799318 0.83 KMT2A (0.56) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL30921265 0.82 HTT (0.66) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL7061229 0.82 MAPT (0.63) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL23043784 0.81 HTT (0.54) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL3799173 0.81 CTSB (0.65) MAPTKMT2AMAPK1HTTALDH1A1
SCHEMBL29937743 0.81 CTSB (0.65) MAPTKMT2AMAPK1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 US disclosed
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 US disclosed
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 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 (3 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 MAPT 3209/4885KMT2A 2981/4885MAPK1 3743/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO MAPT 3544/4885KMT2A 4156/4885MAPK1 2555/4885
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS CRY1, ERCC1, ERCC4 MAPT 518/4885KMT2A 2469/4885MAPK1 3857/4885

“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.