SCHEMBL20324364

SCHEMBL20324364

Clc1ccccc1COc1ccccc1CNCC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
TP53 P04637 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
CXCR4 P61073 6/20 0.50
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL20324949 0.86 GAA (0.54) MEN1KMT2ACYP3A4CYP2C9TP53
SCHEMBL20324371 0.83 CYP3A4 (0.57) MEN1KMT2ACYP3A4CYP2C9TP53
SCHEMBL20324476 0.82 KMT2A (0.59) MEN1KMT2ACYP3A4CYP2C9CYP2D6
SCHEMBL31507091 0.81 LMNA (0.48) GAACXCR4PRMT5WDR77LMNA
SCHEMBL20314087 0.81 PRMT5 (0.55) MEN1KMT2ACYP3A4CYP2C9TP53
Hydrochloric Acid SCHEMBL30933651 0.76 HTR2C (0.53) MEN1KMT2APRMT5WDR77SMN1; SMN2
SCHEMBL7614558 0.75 MEN1 (1.00) MEN1KMT2ACYP3A4CYP2C9TP53
SCHEMBL7614548 0.75 MEN1 (1.00) MEN1KMT2ACYP3A4CYP2C9TP53
SCHEMBL29373593 0.75 MEN1 (1.00) MEN1KMT2ACYP3A4CYP2C9TP53
Hydrochloric Acid SCHEMBL7920925 0.74 MEN1 (0.96) MEN1KMT2ACYP3A4CYP2C9TP53

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 MEN1 3487/4885KMT2A 4516/4885CYP3A4 761/4885
US-10464896-B2 Efflux-pump inhibitors and therapeutic uses thereof ABCB11, ABCC1, ABCC3 MEN1 3443/4885KMT2A 4520/4885CYP3A4 737/4885
US-20180179158-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCC1, ABCC3 MEN1 3443/4885KMT2A 4520/4885CYP3A4 737/4885

“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.