SCHEMBL22493225

SCHEMBL22493225

O=C(CBr)c1ccc2c(c1)CCCCCCC2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
ALDH1A1 P00352 3/20 0.55
GNG2 P59768 1/20 0.54
GNB1 P62873 1/20 0.54
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.50
PTPN1 P18031 3/20 0.47
GSK3B P49841 3/20 0.46
MCHR1 Q99705 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL15927509 1.00 MAPT (0.56) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL15927482 1.00 MAPT (0.56) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL1183589 0.98 MAPT (0.57) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL1182899 0.95 ALDH1A1 (0.61) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL15927500 0.91 PTPN1 (0.52) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL15927490 0.84 CTNNB1 (0.56) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL30089540 0.83 CTNNB1 (0.73) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL22493258 0.82 CTNNB1 (0.55) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL15927498 0.80 CTNNB1 (0.56) MAPTTDP1CTNNB1WNT3AALDH1A1
SCHEMBL15678862 0.80 CTNNB1 (0.56) MAPTTDP1CTNNB1WNT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-01-10 US disclosed
US-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2020-10-01 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 (2 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-20200306257-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 MAPT 1065/4885TDP1 1378/4885CTNNB1 2012/4885
US-11547712-B2 Kinase inhibitor compounds and compositions and methods of use MAP3K20, MAP3K1, PACSIN2 MAPT 1065/4885TDP1 1378/4885CTNNB1 2012/4885

“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.