SCHEMBL20324497

SCHEMBL20324497

Clc1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.56
WDR77 Q9BQA1 1/20 0.56
LMNA P02545 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BCHE P06276 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.46
APP P05067 1/20 0.46
NR4A2 P43354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAOA P21397 1/20 0.44
CXCR4 P61073 1/20 0.44

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
SCHEMBL20325045 0.88 BCHE (0.61) PRMT5WDR77BCHEMAOBMAOA
SCHEMBL31507093 0.88 PRMT5 (0.70) PRMT5WDR77NPC1RAB9AMEN1
SCHEMBL20324489 0.87 PRMT5 (0.50) PRMT5WDR77LMNANPC1RAB9A
SCHEMBL20314086 0.87 PRMT5 (0.57) PRMT5WDR77BCHEMEN1KMT2A
SCHEMBL20324378 0.87 LMNA (0.55) LMNANPC1RAB9ABCHEMAOB
SCHEMBL20325092 0.86 PRMT5 (0.74) PRMT5WDR77MAOBMAOACXCR4
SCHEMBL20324384 0.84 EP300 (0.51) PRMT5WDR77NPC1RAB9ABCHE
SCHEMBL20324371 0.83 CYP3A4 (0.57) PRMT5WDR77LMNAMEN1KMT2A
SCHEMBL20324385 0.83 BCHE (0.47) PRMT5WDR77BCHEMEN1KMT2A
SCHEMBL20324949 0.81 GAA (0.54) PRMT5WDR77LMNAMEN1KMT2A

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 PRMT5 3801/4885WDR77 1607/4885LMNA 2385/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 PRMT5 3780/4885WDR77 1540/4885LMNA 2482/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 PRMT5 3780/4885WDR77 1540/4885LMNA 2482/4885

“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.