SCHEMBL3312868

SCHEMBL3312868

COc1ccc(C2=NN(C(=O)c3ccccc3Cl)C(c3cccc(OC)c3OC)C2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 5/20 0.61
POLB P06746 1/20 0.61
YAP1 P46937 1/20 0.56
TEAD4 Q15561 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 1/20 0.51
EGFR P00533 1/20 0.50
MAOA P21397 3/20 0.49
CA1 P00915 1/20 0.49
PKM P14618 1/20 0.49
MAOB P27338 2/20 0.49
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL3314397 0.92 ALDH1A1 (0.62) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8206289 0.89 ALDH1A1 (0.57) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3319431 0.89 KMT2A (0.61) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3310619 0.87 KDM4E (0.61) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL23052473 0.87 KMT2A (0.74) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3314624 0.85 KMT2A (0.64) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3312796 0.84 PKM (0.67) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3314469 0.84 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL3314426 0.84 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13576145 0.83 KMT2A (0.64) KMT2AMEN1KDM4EALDH1A1POLB

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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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 (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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C KMT2A 2514/4885MEN1 4750/4885KDM4E 332/4885

“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.