SCHEMBL16291811

SCHEMBL16291811

COC(=O)c1ccnc(CNCCCN2CCCC2)c1.O=C(O)c1ccnc(CNCCCN2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ KDM4C Q9H3R0 2/20 0.51
▸ KDM6B O15054 2/20 0.51
▸ KDM2A Q9Y2K7 1/20 0.51
▸ KDM3A Q9Y4C1 1/20 0.51
▸ KDM2B Q8NHM5 2/20 0.45
▸ SMYD2 Q9NRG4 2/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ KDM5B Q9UGL1 5/20 0.42
▸ KDM4A O75164 2/20 0.42
▸ KDM5A P29375 2/20 0.42
▸ EHMT2 Q96KQ7 4/20 0.42
▸ EHMT1 Q9H9B1 4/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPT P10636 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
SCHEMBL15636986 0.96 SMYD2 (0.46) KDM5CKDM4EKDM4CKDM6BKDM2A
SCHEMBL15637693 0.92 KDM2B (0.51) KDM5CKDM4CKDM6BKDM2BSMYD2
SCHEMBL15636566 0.90 KDM2B (0.49) KDM5CKDM4CKDM6BKDM2BSMYD2
SCHEMBL18708137 0.83 HRH3 (0.42) SMYD2EHMT2EHMT1HRH3MAPT
SCHEMBL9736097 0.77 KDM4C (0.54) KDM5CKDM4EKDM4CKDM6BKDM2A
SCHEMBL16291580 0.77 CCR3 (0.55) —
SCHEMBL22005801 0.76 KDM5C (0.55) KDM5CKDM4EKDM4CKDM6BKDM2A
SCHEMBL23120480 0.76 KDM5C (0.50) KDM5CKDM4EKDM4CKDM6BKDM2A
SCHEMBL29607375 0.76 KDM5C (0.50) KDM5CKDM4EKDM4CKDM6BKDM2A
SCHEMBL15994294 0.74 CYP3A4 (0.43) SMYD2HTR7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 KDM5C 31/4885KDM4E 16/4885KDM4C 56/4885

“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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