SCHEMBL17923073

SCHEMBL17923073

O=Cc1cc(Cl)cc(-n2ccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
NOTUM Q6P988 1/20 0.51
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
CYP11B1 P15538 3/20 0.44
CYP17A1 P05093 1/20 0.44
CYP21A2 P08686 1/20 0.44
CYP11B2 P19099 2/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ENPP2 Q13822 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8333337 0.84 IDO1 (0.67) IDO1NOTUMCYP3A4CYP2D6PSEN1
SCHEMBL27670476 0.82 CYP11B1 (0.43) IDO1NOTUMCYP3A4CYP11B1CYP17A1
SCHEMBL17959123 0.79 CYP17A1 (0.73) IDO1NOTUMCYP3A4CYP2D6PSEN1
SCHEMBL17959125 0.79 CYP17A1 (0.73) IDO1NOTUMCYP3A4CYP2D6PSEN1
SCHEMBL17820777 0.78 CYP3A4 (0.47) IDO1NOTUMCYP3A4CYP11B1CYP17A1
SCHEMBL8288350 0.77 MAPT (0.60) NOTUMCYP3A4LMNAMAPTENPP2
SCHEMBL209879 0.77 MAPT (0.60) NOTUMCYP3A4LMNAMAPTENPP2
SCHEMBL29546575 0.77 IDO1 (0.63) IDO1NOTUMCYP3A4CYP11B1CYP17A1
SCHEMBL2570787 0.77 IDO1 (0.63) IDO1NOTUMCYP3A4CYP11B1CYP17A1
SCHEMBL16673120 0.73 CYP3A4 (0.62) IDO1NOTUMCYP3A4CYP11B1CYP17A1

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-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
EP-3044210-A2 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2016-07-20 EP 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-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP21A2 IDO1 895/4885NOTUM 623/4885CYP3A4 52/4885

“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.