SCHEMBL21733592

SCHEMBL21733592

C=CCNCCNCCNCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.52
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.35
SAT1 P21673 2/20 0.34
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL20038043 0.97
SCHEMBL5802301 0.90 KDM1A (0.62) KDM1ACYP2C19MEN1GLAKMT2A
SCHEMBL5611699 0.86 ADRB2 (0.34) KDM1ATSHRTP53ADRB2ADRB1
SCHEMBL5611639 0.86 ADRB2 (0.34) KDM1ATSHRTP53ADRB2ADRB1
SCHEMBL22756216 0.85 KDM1A (0.67) KDM1ACYP2C19MEN1GLAKMT2A
SCHEMBL21216247 0.84 ADH1B (0.36) KDM1ATSHRADRB2ADRB1
SCHEMBL31294 0.83
SCHEMBL368094 0.83 ADRB2 (0.35) TSHRADRB2ADRB1
SCHEMBL8637555 0.81 KDM1A (0.78) KDM1ACYP2C19MEN1GLAKMT2A
SCHEMBL8637561 0.81 KDM1A (0.78) KDM1ACYP2C19MEN1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934380-B1 Crosslinked poly(allylamine) polymer pharmaceutical compositions TRICIDA, INC. (US) 2021-03-02 US disclosed
US-20200054669-A1 COMPOSITIONS FOR AND METHODS OF TREATING ACID-BASE DISORDERS TRICIDA, INC. 2020-02-20 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 (2 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-10934380-B1 Crosslinked poly(allylamine) polymer pharmaceutical compositions PARG, PARN, AAAS KDM1A 2777/4885CYP2C19 316/4885MEN1 1766/4885
US-20200054669-A1 COMPOSITIONS FOR AND METHODS OF TREATING ACID-BASE DISORDERS SLC10A2, SLC10A1, SLC26A3 KDM1A 4485/4885CYP2C19 525/4885MEN1 316/4885

“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.