SCHEMBL9900405

SCHEMBL9900405

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
PLEC Q15149 1/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.34
HTR6 P50406 1/20 0.33
ELANE P08246 1/20 0.32
INSR P06213 1/20 0.32
HTR7 P34969 3/20 0.32
HPGD P15428 2/20 0.31
SLC6A2 P23975 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2466265 0.91 KDM4E (0.43) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2464566 0.87 KDM4E (0.39) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2489167 0.85 KDM4E (0.45) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2462401 0.85 KDM4E (0.48) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900882 0.84 CRHR1 (0.38) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2465646 0.84 CRHR1 (0.38) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL9900639 0.84 ALDH3A1 (0.40) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL2465393 0.81 ALDH3A1 (0.44) KDM4EALDH1A1MAPTLMNAPLEC
SCHEMBL7293971 0.80 TDP1 (0.41) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL2466293 0.79 KDM4E (0.50) 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 6 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

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.