SCHEMBL2462401

SCHEMBL2462401

CCCCN(CCCC)c1cccc2c(C=O)ccc(N(C)C)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
PLEC Q15149 1/20 0.45
GAA P10253 4/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 3/20 0.35
INSR P06213 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR6 P50406 1/20 0.34
ALDH3A1 P30838 2/20 0.33
ALDH1A3 P47895 2/20 0.33
CRHR1 P34998 2/20 0.33

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
SCHEMBL2464566 0.95 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900639 0.92 ALDH3A1 (0.40) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900681 0.92 KDM4E (0.50) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2465646 0.92 CRHR1 (0.38) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2466293 0.92 KDM4E (0.50) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900882 0.89 CRHR1 (0.38) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9901537 0.88 KDM4E (0.54) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2463214 0.88 KDM4E (0.54) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2465393 0.86 ALDH3A1 (0.44) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900405 0.85 KDM4E (0.41) KDM4EALDH1A1MAPTLMNAPLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1881/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KDM4E 1881/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 KDM4E 1881/4885ALDH1A1 2506/4885MAPT 3443/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 KDM4E 1881/4885ALDH1A1 2506/4885MAPT 3443/4885

“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.