SCHEMBL2538880

SCHEMBL2538880

[CH2]Oc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.43
ALDH1A1 P00352 3/20 0.38
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2115832 0.81 F10 (0.59) F10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL2539751 0.78 F10 (0.39) F10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL143175 0.77 ALDH1A1 (0.54) F10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL16541557 0.77 MCHR1 (0.42) F10ALDH1A1MCHR1L3MBTL1
SCHEMBL10059454 0.77 MAPT (0.50) F10MCHR1HPGDL3MBTL1
SCHEMBL2645575 0.75 DDB1 (0.41) F10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL14408275 0.74 MCHR1 (0.62) MCHR1SMN1; SMN2CYP1A2L3MBTL1
SCHEMBL92819 0.74 KDM4E (0.57) F10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL142777 0.74 F10 (0.44) F10ALDH1A1KDM4E
SCHEMBL29348735 0.74 F10 (0.52) F10ALDH1A1SMN1; SMN2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (4 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 F10 886/4885ALDH1A1 3756/4885MCHR1 74/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 F10 1114/4885ALDH1A1 2837/4885MCHR1 83/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 F10 1256/4885ALDH1A1 1443/4885MCHR1 163/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 F10 1284/4885ALDH1A1 1379/4885MCHR1 168/4885

“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.