SCHEMBL1879535

SCHEMBL1879535

COC(=O)c1nc2c(OCc3ccccc3)cccn2c(=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.52
ATP4B P51164 3/20 0.52
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PSEN1 P49768 9/20 0.47
PSEN2 P49810 9/20 0.47
APH1B Q8WW43 9/20 0.47
NCSTN Q92542 9/20 0.47
APH1A Q96BI3 9/20 0.47
PSENEN Q9NZ42 9/20 0.47
RNASEH1 O60930 1/20 0.45
BRD4 O60885 1/20 0.43

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
SCHEMBL11062520 0.85 ATP4A (0.58) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL1875165 0.81 LMNA (0.55) ATP4AATP4BHDAC6PSEN1PSEN2
SCHEMBL7853457 0.77 ATP4A (0.61) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL12952654 0.77 ALDH1A1 (0.42) MEN1KMT2ARNASEH1LMNAHPGD
SCHEMBL12638590 0.77 KDM4E (0.42) RNASEH1LMNAHPGDERCC1FEN1
SCHEMBL17802255 0.75 ATP4A (0.53) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL903268 0.72 ATP4A (0.65) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL823323 0.72 ALDH1A1 (0.66) MEN1MAPK1KMT2ALMNAHPGD
SCHEMBL10379243 0.72 PSEN1 (0.51) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL11064908 0.72 ATP4A (0.68) ATP4AATP4BMEN1CYP1A2CYP3A4

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
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 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-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS ATP4A 1521/4885ATP4B 1371/4885MEN1 4188/4885

“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.