SCHEMBL19810177

SCHEMBL19810177

Oc1cc(-c2cccnc2)cc(-c2cccnc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP19A1 P11511 3/20 0.59
CYP11B1 P15538 3/20 0.59
CYP11B2 P19099 3/20 0.59
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MKNK1 Q9BUB5 5/20 0.52
MKNK2 Q9HBH9 5/20 0.52
MEN1 O00255 1/20 0.52
PSIP1 O75475 1/20 0.52
AXL P30530 1/20 0.52
ERN1 O75460 2/20 0.50
CYP17A1 P05093 2/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50

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
SCHEMBL12129629 0.90 CYP11B1 (0.64) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL31508264 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL12956908 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL12068478 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL12108682 0.89 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL9008997 0.87 CYP3A4 (0.54) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL1026845 0.85 CYP11B1 (0.68) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL21296912 0.85 CYP2A6 (0.62) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL29567050 0.85 CYP11B1 (0.68) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL30295066 0.85 CYP11B1 (0.68) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793683-B2 Block co-poly(metal organic nanostructures) (BCPMONs) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-06 US disclosed
US-20180258233-A9 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-09-13 US disclosed
WO-2018022944-A1 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONs) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-02-01 WO disclosed
US-20180030213-A1 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-02-01 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 (3 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-20180030213-A1 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF MB, EBPL, POF1B CYP2A6 4073/4885ALDH1A1 2224/4885CYP3A4 3081/4885
US-10793683-B2 Block co-poly(metal organic nanostructures) (BCPMONs) and uses thereof MB, EBPL, POF1B CYP2A6 4073/4885ALDH1A1 2224/4885CYP3A4 3081/4885
US-20180258233-A9 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF MB, EBPL, POF1B CYP2A6 4073/4885ALDH1A1 2224/4885CYP3A4 3081/4885

“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.