SCHEMBL1275475

SCHEMBL1275475

CN(C)c1cccc2c(C=O)ccc(N(C)C)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
PLEC Q15149 1/20 0.58
GAA P10253 4/20 0.54
TSHR P16473 1/20 0.53
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 2/20 0.46
PABPC1 P11940 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHEK1 O14757 1/20 0.40
NEK2 P51955 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.39
USP2 O75604 1/20 0.36

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
SCHEMBL9901537 0.91 KDM4E (0.54) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL2463214 0.91 KDM4E (0.54) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL2466293 0.87 KDM4E (0.50) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL9900681 0.87 KDM4E (0.50) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL2462401 0.84 KDM4E (0.48) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL2489167 0.83 KDM4E (0.45) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL2513355 0.82 KDM4E (0.44) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL9921195 0.81 KDM4E (0.63) KDM4EMAPTALDH1A1LMNAPLEC
SCHEMBL29708057 0.81 CHEK1 (0.52) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL346454 0.81 CHEK1 (0.52) KDM4EMAPTALDH1A1LMNAGAA

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 35 patents — showing the first 20. 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-9677143-B2 Compositions and methods for the identification of inhibitors of retroviral infection TRANA DISCOVERY, INC. (US) 2017-06-13 US disclosed
US-9677143-B2 Compositions and methods for the identification of inhibitors of retroviral infection TRANA DISCOVERY, INC. (US) 2017-06-13 US disclosed
US-9677143-B2 Compositions and methods for the identification of inhibitors of retroviral infection TRANA DISCOVERY, INC. (US) 2017-06-13 US disclosed
US-20160222473-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY INC (US) 2016-08-04 US disclosed
US-20160222473-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY INC (US) 2016-08-04 US disclosed
US-20160222473-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY INC (US) 2016-08-04 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-20110033850-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION NATIONAL SCIENCE FOUNDATION 2011-02-10 US disclosed
US-20100291032-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY (US) 2010-11-18 US disclosed
US-20100291032-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY (US) 2010-11-18 US disclosed
US-20100291032-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY (US) 2010-11-18 US disclosed
WO-2010111718-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY (US) 2010-09-30 WO disclosed
EP-2201118-A2 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION Trana Discovery (US) 2010-06-30 EP disclosed
EP-2197455-A2 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION North Carolina State University (US) 2010-06-23 EP disclosed
WO-2009038666-A2 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-26 WO disclosed
WO-2009036299-A2 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRANA DISCOVERY (US) 2009-03-19 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 KDM4E 1881/4885MAPT 3443/4885ALDH1A1 2506/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KDM4E 1881/4885MAPT 3443/4885ALDH1A1 2506/4885
US-20100291032-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF RETROVIRAL INFECTION TRMT1L, TRMT1, TARBP1 KDM4E 2672/4885MAPT 2765/4885ALDH1A1 2713/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KDM4E 1881/4885MAPT 3443/4885ALDH1A1 2506/4885

“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.