SCHEMBL20139416

SCHEMBL20139416

OC(c1ccc2c(c1)CC2)c1cc(Br)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 3/20 0.33
KCNH2 Q12809 1/20 0.33
IGF1R P08069 1/20 0.33
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CNR1 P21554 1/20 0.32
HTR6 P50406 1/20 0.32
ACACB O00763 1/20 0.31
CARM1 Q86X55 2/20 0.31
HSD17B3 P37058 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL20139400 0.82 KMT2A (0.42) ALDH1A1HSP90AA1GAAKMT2ACYP3A4
SCHEMBL10040918 0.81 HDAC3 (0.47) ACACBHTT
SCHEMBL20140072 0.78 KMT2A (0.40) ALDH1A1HSP90AA1GAAKMT2APRMT5
SCHEMBL20139451 0.78 KMT2A (0.42) ALDH1A1HSP90AA1GAAKMT2ACYP3A4
SCHEMBL20139705 0.78 ALDH1A1 (0.40) ALDH1A1HSP90AA1GAAKMT2ACYP3A4
SCHEMBL20140180 0.78 SMN1; SMN2 (0.33)
SCHEMBL30423782 0.76 CYP2A6 (0.47) KMT2ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL20139452 0.76 ALDH1A1 (0.40) ALDH1A1HSP90AA1GAAKMT2ASLC6A2
SCHEMBL11475007 0.74 HTR6 (0.43) ALDH1A1GAAKMT2ASLC6A2SLC6A4
SCHEMBL2866310 0.73 MAPK1 (0.38) ALDH1A1KMT2ASLC6A2SLC6A4SLC6A3

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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-27 US disclosed
WO-2018089449-A1 BENZOCYCLOBUTANE DERIVATIVES USEFUL AS DUAL SGLT1/SGLT2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-17 WO 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-10815210-B2 Benzocyclobutane derivatives useful as dual SGLT1 / SGLT2 modulators SLC5A2, SLC5A1, SLC2A2 ALDH1A1 2392/4885HSP90AA1 1912/4885GAA 898/4885

“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.