SCHEMBL2463380

SCHEMBL2463380

O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.67
LMNA P02545 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
ALDH1A1 P00352 10/20 0.64
MAPT P10636 10/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP2C19 P33261 2/20 0.63
CYP1A2 P05177 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GPR174 Q9BXC1 1/20 0.60
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C9 P11712 1/20 0.55
NPC1 O15118 1/20 0.55

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
SCHEMBL23928687 0.88 DCTPP1 (0.66) DCTPP1LMNANPSR1ALDH1A1MAPT
SCHEMBL12684718 0.83 ALDH1A1 (0.82) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL23928633 0.83 NPSR1 (0.62) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL22095278 0.83 LMNA (0.67) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL24711230 0.82 MAPT (0.67) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL2483606 0.82 ALDH1A1 (0.69) DCTPP1LMNANPSR1ALDH1A1MAPT
SCHEMBL2388569 0.82 MAPT (0.80) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL23928552 0.82 LMNA (0.69) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL23928561 0.82 NPSR1 (0.63) LMNANPSR1ALDH1A1MAPTMEN1
SCHEMBL23928684 0.82 LMNA (0.63) LMNANPSR1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 DCTPP1 244/4885LMNA 2558/4885NPSR1 4662/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 DCTPP1 244/4885LMNA 2558/4885NPSR1 4662/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 DCTPP1 244/4885LMNA 2558/4885NPSR1 4662/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 DCTPP1 244/4885LMNA 2558/4885NPSR1 4662/4885

“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.