SCHEMBL5650550

SCHEMBL5650550

CN(C)C(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CNR2 P34972 4/20 0.39
TACR1 P25103 4/20 0.37
CNR1 P21554 1/20 0.37
ALOX12 P18054 1/20 0.36
APP P05067 1/20 0.36
KAT2B Q92831 1/20 0.35
METAP2 P50579 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
NOD2 Q9HC29 1/20 0.35

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
SCHEMBL4750436 0.92 KDM4E (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL4690010 0.92 KDM4E (0.40) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL14573757 0.91 TACR1 (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL4694618 0.90 KDM4E (0.40) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL5649171 0.88 KMT2A (0.40) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL12378155 0.87 METAP2 (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL4788044 0.86 MAPT (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL4652222 0.86 KDM4E (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL29390607 0.86 KDM4E (0.39) KDM4EMAPTRAB9AKMT2ANPSR1
SCHEMBL13592676 0.85 KDM4E (0.40) KDM4EMAPTRAB9AKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS KDM4E 1723/4885MAPT 3536/4885RAB9A 3808/4885

“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.