SCHEMBL6722133

SCHEMBL6722133

Cc1ccc(-n2c(SCC(=O)NNC(=O)c3ccccc3O)nnc2-c2ccccc2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 4/20 0.67
HTT P42858 1/20 0.67
POLB P06746 3/20 0.63
MAPK1 P28482 2/20 0.61
GAA P10253 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
KMT2A Q03164 3/20 0.55
USP2 O75604 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.49

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
SCHEMBL6722078 0.91 POLB (0.73) TSHRLMNAALDH1A1KDM4EHTT
SCHEMBL6722154 0.84 ALDH1A1 (0.64) TSHRLMNAALDH1A1KDM4EHTT
SCHEMBL6722242 0.80 POLB (0.66) LMNAALDH1A1KDM4EHTTPOLB
SCHEMBL6722220 0.80 POLB (0.71) LMNAALDH1A1KDM4EHTTPOLB
SCHEMBL6722243 0.80 KDM4E (1.00) TSHRLMNAALDH1A1KDM4EHTT
SCHEMBL6407256 0.80 TSHR (0.68) TSHRLMNAALDH1A1KDM4EHTT
SCHEMBL13905646 0.79 TSHR (0.67) TSHRLMNAALDH1A1KDM4EPOLB
SCHEMBL6722241 0.78 TSHR (0.62) TSHRLMNAALDH1A1KDM4EHTT
SCHEMBL6722164 0.77 POLB (1.00) LMNAALDH1A1KDM4EHTTPOLB
SCHEMBL6722204 0.75 ALDH1A1 (0.62) LMNAALDH1A1KDM4EHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 TSHR 3576/4885LMNA 2394/4885ALDH1A1 1558/4885
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 TSHR 4821/4885LMNA 3013/4885ALDH1A1 265/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 TSHR 3576/4885LMNA 2394/4885ALDH1A1 1558/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 TSHR 3576/4885LMNA 2394/4885ALDH1A1 1558/4885

“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.