SCHEMBL12804319

SCHEMBL12804319

O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCN(Cc3cccnc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.58
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 3/20 0.53
ADRB2 P07550 1/20 0.52
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
TACR3 P29371 1/20 0.51
ALDH1A2 O94788 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
ALDH1A3 P47895 1/20 0.49
PTGS1 P23219 1/20 0.49
KMT2A Q03164 2/20 0.47
CCR2 P41597 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL12804029 0.85 LMNA (0.67) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL12804710 0.85 CCR2 (0.57) PTGS2CYP3A4CYP2D6ADRB2LMNA
SCHEMBL12803891 0.84 PTGS2 (0.55) PTGS2CYP3A4CYP2D6ADRB2LMNA
SCHEMBL12804171 0.84 CCR2 (0.56) PTGS2CYP3A4CYP2D6ADRB2LMNA
SCHEMBL8358657 0.84 PTGS2 (0.71) PTGS2CYP3A4CYP2D6TP53TACR3
SCHEMBL12804557 0.84 PTGS2 (0.77) PTGS2LMNATP53ALDH1A1PTGS1
SCHEMBL12804038 0.84 LMNA (0.56) LMNATP53ALDH1A1KMT2AMEN1
SCHEMBL16130556 0.82 CCR2 (0.54) PTGS2CYP3A4CYP2D6ADRB2LMNA
SCHEMBL12804242 0.82 CCR2 (0.54) PTGS2CYP3A4CYP2D6ADRB2LMNA
SCHEMBL12804552 0.81 CCR2 (0.55) PTGS2CYP3A4CYP2D6LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
WO-2012170098-A2 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-13 WO disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 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-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME PTGS2 3862/4885CYP3A4 1463/4885CYP2D6 1446/4885

“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.