SCHEMBL5906849

SCHEMBL5906849

COC(=O)[C@H](Cc1ccccc1)Nc1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.45
LMNA P02545 3/20 0.44
HDAC1 Q13547 1/20 0.44
BACE1 P56817 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5906845 1.00 KMO (0.45) KMOLMNAHDAC1BACE1CA12
SCHEMBL5906886 0.91 KMO (0.48) KMOLMNAHDAC1ITGB1ITGA4
SCHEMBL5906884 0.91 KMO (0.48) KMOLMNAHDAC1ITGB1ITGA4
SCHEMBL6455717 0.85 F11 (0.44) LMNABACE1CA12CA1CA2
SCHEMBL5906841 0.84 TACR3 (0.47) LMNAHDAC1ITGB1ITGA4MAPT
SCHEMBL5906767 0.84 ELANE (0.48) LMNAHDAC1ITGB1ITGA4MAPT
SCHEMBL5906861 0.84 ELANE (0.48) LMNAHDAC1ITGB1ITGA4MAPT
SCHEMBL5906837 0.84 TACR3 (0.47) LMNAHDAC1ITGB1ITGA4MAPT
SCHEMBL5906697 0.84 TACR3 (0.47) LMNAHDAC1ITGB1ITGA4MAPT
SCHEMBL5906701 0.84 TACR3 (0.47) LMNAHDAC1ITGB1ITGA4MAPT

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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 KMO 842/4885LMNA 2179/4885HDAC1 2562/4885

“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.