SCHEMBL1102245

SCHEMBL1102245

C=Cc1coc2ccccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.71
MAOA P21397 6/20 0.71
PTPN1 P18031 1/20 0.71
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
PTGS2 P35354 4/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGES O14684 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
SCHEMBL5149191 0.84 MAOB (0.53) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL127924 0.83 PTPN1 (1.00) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL29952282 0.83 PTPN1 (1.00) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL28874629 0.81 MAOB (0.71) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL1305130 0.81 MAOB (0.71) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL14198055 0.77 MAOB (0.65) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL11307220 0.75 MAOB (0.68) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL31227087 0.75 MAOB (0.68) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL11549472 0.75 MAOB (0.63) MAOBMAOAPTPN1ALDH1A1MAPT
SCHEMBL11549468 0.75 MAOB (0.63) MAOBMAOAPTPN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-12-22 US disclosed
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
WO-2011143660-A2 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA DANA-FARBER CANCER INSTITUTE, INC. (US) 2011-11-17 WO disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (5 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 MAOB 1447/4885MAOA 1439/4885PTPN1 1715/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAOB 1447/4885MAOA 1439/4885PTPN1 1715/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 MAOB 1447/4885MAOA 1439/4885PTPN1 1715/4885
US-20130184258-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 MAOB 1447/4885MAOA 1439/4885PTPN1 1715/4885
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS MAOB 730/4885MAOA 747/4885PTPN1 2115/4885

“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.