SCHEMBL9900882

SCHEMBL9900882

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ELANE P08246 3/20 0.36
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
PLEC Q15149 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
UTS2R Q9UKP6 1/20 0.33
ALDH3A1 P30838 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL2465646 0.97 CRHR1 (0.38) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL2464566 0.94 KDM4E (0.39) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL9900639 0.92 ALDH3A1 (0.40) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL9901513 0.92 ALDH1A1 (0.39) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL2513355 0.90 KDM4E (0.44) KDM4ELMNAHTTMEN1PABPC1
SCHEMBL2462401 0.89 KDM4E (0.48) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL2462948 0.89 ALDH1A1 (0.42) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL2466004 0.89 ALDH1A1 (0.42) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL2465393 0.85 ALDH3A1 (0.44) CRHR1KDM4ELMNAHTTMEN1
SCHEMBL9900405 0.84 KDM4E (0.41) KDM4ELMNAHTTMEN1PABPC1

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 CRHR1 4780/4885KDM4E 1881/4885LMNA 2558/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 CRHR1 4780/4885KDM4E 1881/4885LMNA 2558/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 CRHR1 4780/4885KDM4E 1881/4885LMNA 2558/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 CRHR1 4780/4885KDM4E 1881/4885LMNA 2558/4885

“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.