SCHEMBL5537008

SCHEMBL5537008

Nc1cc(F)c(F)cc1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
GAA P10253 2/20 0.60
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PBRM1 Q86U86 1/20 0.48
AKR1C3 P42330 1/20 0.48
MAPK14 Q16539 2/20 0.48
ADORA1 P30542 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL27308480 0.89 MAPT (0.56) MAPTGAAPOLBLMNATSHR
SCHEMBL14916456 0.86 MAPT (0.53) MAPTGAAPOLBLMNATSHR
SCHEMBL27475536 0.86 MAPT (0.53) MAPTGAAPOLBLMNATSHR
SCHEMBL8033801 0.86 MAPT (0.72) MAPTGAAPOLBLMNATSHR
SCHEMBL8611045 0.84 ALDH1A1 (0.52) MAPTGAAPOLBALDH1A1MEN1
SCHEMBL343289 0.84 LTA4H (0.50) MAPTGAAPOLBLMNAALDH1A1
SCHEMBL8037904 0.84 MAPT (0.69) MAPTGAAPOLBLMNATSHR
SCHEMBL4851027 0.82 MAPT (0.54) MAPTGAAPOLBLMNAMAPK1
SCHEMBL1741449 0.81 MAPT (0.61) MAPTGAAPOLBLMNATSHR
SCHEMBL15793447 0.80 MAPT (0.50) MAPTGAAPOLBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648203-B Iridium complex, organic electroluminescent device and uses thereof SAMSUNG ELECTRONICS CO.,LTD. (KR) 2015-09-30 CN disclosed
EP-2508527-B1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO LTD (KR) 2015-01-07 EP disclosed
EP-2508527-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND USE THEREFOR Showa Denko K.K. (JP) 2012-10-10 EP disclosed
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF SAMSUNG ELECTRONICS CO., LTD (KR) 2012-09-20 US disclosed
EP-1338599-B1 Optically pure analogues of Camptothecin SOD CONSEILS RECH APPLIC (FR) 2007-02-14 EP disclosed
US-7135478-B2 Analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-11-14 US disclosed
US-7012079-B1 Optically pure camptothecin analogues SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-14 US disclosed
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-17 US disclosed
US-6815546-B2 ANTICANCER AGENTS SOCIETE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-11-09 US disclosed
EP-1338599-A1 Optically pure analogues of Camptothecin Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-08-27 EP disclosed
EP-1165565-B1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOD CONSEILS RECH APPLIC (FR) 2003-06-04 EP disclosed
US-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-01-02 US disclosed
EP-1165565-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-02 EP disclosed
WO-2000050427-A1 OPTICALLY PURE CAMPTOTHECIN ANALOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-08-31 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 (3 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-20030004150-A1 New analogues of camptothecin, their use as medicaments and the pharmaceutical compositions containing them TOP1, TOP2A, TYMP MAPT 4181/4885GAA 1683/4885POLB 691/4885
US-20120235132-A1 IRIDIUM COMPLEX COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND USES THEREOF ELP1, AGO2, IPO5 MAPT 1887/4885GAA 2067/4885POLB 2507/4885
US-20050038064-A1 Anticarcinogenic agents; breast, colon, lung, prostate, ovarian, and gastric cancers, leukemia, melanomas; (5R)-5-ethyl-9,10-difluoro-5-hydroxy-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione MCL1, BRCA1, API5 MAPT 4618/4885GAA 3903/4885POLB 922/4885

“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.