SCHEMBL15522979

SCHEMBL15522979

O=C(Oc1ccc2c(c1)OCC2)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 1/20 0.44
ELANE P08246 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
ACSL1 P33121 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40

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
SCHEMBL15523076 0.88 KMT2A (0.47) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15091861 0.83 KMT2A (0.51) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL29177251 0.81 MEN1 (0.47) KMT2ASMN1; SMN2GRM5MEN1CA2
SCHEMBL6266662 0.80 CA2 (0.61) KMT2AHTTSMN1; SMN2TDP1GRM5
SCHEMBL27730216 0.80 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15092191 0.80 KMT2A (0.49) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15092129 0.79 GRM5 (0.53) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL28643781 0.78 GRM5 (0.42) KMT2ASMN1; SMN2TDP1GRM5KDM4E
SCHEMBL1924076 0.77 LMNA (0.56) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL27776760 0.75 KMT2A (0.58) KMT2AHTTSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105693701-B Modulators of ATP-binding cassette transporters 弗特克斯药品有限公司 2021-08-10 CN disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 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-20140080826-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885HTT 1077/4885SMN1; SMN2 4738/4885

“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.