SCHEMBL20324949

SCHEMBL20324949

Clc1ccc(COc2ccccc2CNCC2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46

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
SCHEMBL31507091 0.88 LMNA (0.48) GAAPRMT5WDR77LMNASLC6A2
SCHEMBL20324336 0.88 GAA (0.56) GAATP53POLBMAPTTHRB
SCHEMBL20324364 0.86 MEN1 (0.58) GAATP53POLBMAPTTHRB
Hydrochloric Acid SCHEMBL30933651 0.85 HTR2C (0.53) SMN1; SMN2KMT2AMEN1HTTPRMT5
SCHEMBL30933759 0.84 SLC6A4 (0.61) TP53SMN1; SMN2KMT2AMEN1PRMT5
SCHEMBL20324497 0.81 PRMT5 (0.56) SMN1; SMN2KMT2AMEN1PRMT5WDR77
SCHEMBL20325040 0.79 PLK1 (0.59) TP53POLBSMN1; SMN2KMT2AMEN1
SCHEMBL8985647 0.79 MEN1 (0.51) GAATP53KMT2AMEN1HTT
SCHEMBL20314086 0.78 PRMT5 (0.57) TP53SMN1; SMN2KMT2AMEN1HTT
SCHEMBL31507093 0.78 PRMT5 (0.70) POLBKMT2AMEN1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2020-04-16 US disclosed
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof Basilea Pharmaceutica International AG (CH) 2019-11-05 US disclosed
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF Basilea Pharmaceutica International AG (CH) 2018-06-28 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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 GAA 1745/4885TP53 2257/4885POLB 2975/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 GAA 1772/4885TP53 2320/4885POLB 2973/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 GAA 1772/4885TP53 2320/4885POLB 2973/4885

“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.