SCHEMBL259391

SCHEMBL259391

Cc1cccc(OCCN2CCCCC2)c1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.86
L3MBTL1 Q9Y468 1/20 0.86
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
BACE1 P56817 1/20 0.67
LTA4H P09960 2/20 0.64
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
ESR1 P03372 2/20 0.57
HIF1A Q16665 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56

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
SCHEMBL8361480 0.98 KDM4E (0.83) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL14426319 0.95 KDM4E (0.78) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL11983507 0.92 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1TSHRESR1
SCHEMBL8266135 0.91 BACE1 (0.77) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL12660177 0.91 KDM4E (0.91) KDM4EL3MBTL1ALDH1A1TSHRHRH3
SCHEMBL12810770 0.88 KMT2A (0.69) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL13766381 0.85 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL259183 0.85 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL14970714 0.84 HRH3 (0.76) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1
SCHEMBL15474805 0.84 HRH3 (0.76) KDM4EL3MBTL1ALDH1A1SMN1; SMN2BACE1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-07-02 US disclosed
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-8847003-B2 Role of proteoglycans in drug dependence SANNA PIETRO P (US) 2014-09-30 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
US-8835443-B2 Pyrimidine compound and medical use thereof JAPAN TOBACCO INC. (JP) 2014-09-16 US disclosed
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE SANNA PIETRO P (US) 2014-06-19 US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 US disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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 (7 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 KDM4E 2344/4885L3MBTL1 1326/4885ALDH1A1 208/4885
US-20140173764-A9 ROLE OF PROTEOGLYCANS IN DRUG DEPENDENCE OGFR, CSGALNACT1, OPRL1 KDM4E 3408/4885L3MBTL1 3823/4885ALDH1A1 835/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 KDM4E 2970/4885L3MBTL1 4071/4885ALDH1A1 1154/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885L3MBTL1 3455/4885ALDH1A1 709/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885L3MBTL1 3535/4885ALDH1A1 4428/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885L3MBTL1 3455/4885ALDH1A1 709/4885
US-20150183812-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD KDM4E 1105/4885L3MBTL1 3455/4885ALDH1A1 709/4885

“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.