SCHEMBL15317723

SCHEMBL15317723

CCOCC1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ GRM3 Q14832 3/20 0.50
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 4/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPC1L1 Q9UHC9 1/20 0.47
▸ PLA2G1B P04054 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL15317708 0.89 KMT2A (0.58) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL10194849 0.87 GRM3 (0.53) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL15317651 0.84 KMT2A (0.61) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL15317703 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL15317634 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL15317650 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL18199523 0.80 L3MBTL3 (0.48) —
SCHEMBL16845219 0.80 L3MBTL3 (0.48) —
SCHEMBL15317712 0.79 MEN1 (0.61) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL6270590 0.79 HPGD (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — 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 (1 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 KMT2A 3615/4885MEN1 3827/4885ALDH1A1 875/4885

“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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