SCHEMBL5802505

SCHEMBL5802505

c1ccc(-c2cc(-n3ccc4ccccc43)c3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CYP19A1 P11511 1/20 0.51
▸ TERT O14746 1/20 0.50
▸ ACHE P22303 1/20 0.47
▸ LMNA P02545 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ DHODH Q02127 1/20 0.42
▸ ACP1 P24666 1/20 0.41
▸ ACACA Q13085 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL5803322 0.85 KDM4E (0.48) KDM4EL3MBTL1CYP19A1TERTACHE
SCHEMBL6001943 0.78 TERT (0.44) KDM4EL3MBTL1TERTACHELMNA
SCHEMBL12402661 0.76 CYP19A1 (0.80) KDM4EL3MBTL1CYP19A1ACHELMNA
SCHEMBL22648996 0.76 BIRC5 (0.50) L3MBTL1TERTSMN1; SMN2HPGDALDH1A1
SCHEMBL12014898 0.76 KDM4E (0.56) KDM4EL3MBTL1CYP19A1TERTACHE
SCHEMBL26997351 0.73 DHODH (0.58) KDM4EL3MBTL1CYP19A1ACHELMNA
SCHEMBL14259395 0.73 TERT (0.47) KDM4ETERTACHELMNASMN1; SMN2
SCHEMBL22648975 0.72 ALDH1A1 (0.56) KDM4EL3MBTL1TERTLMNAHPGD
SCHEMBL16344606 0.72 CYP3A4 (0.45) KDM4ECYP19A1TERTLMNAHPGD
SCHEMBL6001202 0.72 ACP1 (0.54) KDM4EACHELMNAACP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 — — US claimed
WO-2006058201-A2 HETEROCYCLIC AND BICYCLIC COMPOUNDS, COMPOSITIONS AND METHODS REDDY US THERAPEUTICS, INC. (US) 2006-06-01 — — WO claimed
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 — — US disclosed
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free FUJIFILM FINECHEMICALS CO., LTD (JP) 2008-03-13 — — US disclosed
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 — — 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 (2 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG KDM4E 2893/4885L3MBTL1 4021/4885CYP19A1 863/4885
US-20080064878-A1 Low cost, high yield, industrial scale reaction of 4-halopyridine and indole derivatives in presence of strong organic base; heavy metal catalyst free IDO1, IDO2, TDO2 KDM4E 451/4885L3MBTL1 4000/4885CYP19A1 3783/4885

“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.

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