SCHEMBL21892420

SCHEMBL21892420

CCc1cccc(CNCC2CNC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.49
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MC4R P32245 1/20 0.40
MAN1B1 Q9UKM7 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL25729156 0.88 NOS1 (0.42) CXCR4PRMT5WDR77MC4RMAN1B1
SCHEMBL19314023 0.86 EED (0.48) CXCR4PRMT5WDR77SMN1; SMN2
SCHEMBL20325156 0.84 CXCR4 (0.54) CXCR4PRMT5WDR77ALDH1A1
SCHEMBL6450191 0.80 MAN1B1 (0.57) CXCR4MC4RMAN1B1ALDH1A1ALOX12
SCHEMBL20324536 0.77 HDAC4 (0.46) CXCR4MC4RMAN1B1ALDH1A1
SCHEMBL20325019 0.74 HDAC4 (0.47) CXCR4ALDH1A1MAPT
SCHEMBL12956919 0.74 PARP1 (0.43) CXCR4ALDH1A1LMNAMAPTPKM
SCHEMBL21892421 0.74 CXCR4 (0.53) CXCR4PRMT5WDR77CHRM3
SCHEMBL20314119 0.74 BCHE (0.52) SMN1; SMN2
SCHEMBL20324424 0.73 BCHE (0.54) SMN1; SMN2ALDH1A1MAPT

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 1 patent. 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

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-20200115339-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 CXCR4 629/4885PRMT5 3801/4885WDR77 1607/4885

“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.