SCHEMBL3020474

SCHEMBL3020474

CNCCCNCCNC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
PAOX Q6QHF9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CASP2 P42575 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL24415673 1.00 CYP2C19 (0.47) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL18608790 0.97 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL12085580 0.97 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL27317399 0.93 EPHX1 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL26367204 0.93 CYP2C19 (0.53) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3024820 0.93 CYP2C19 (0.53) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL7511396 0.90 CYP2C19 (0.56) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL9971087 0.90 CYP2C19 (0.56) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL8850809 0.87 EPHX1 (0.58) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL18870232 0.87 EPHX1 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205595-A2 EGFR INHIBITORS IN CANCER TREATMENT CELYN THERAPEUTICS, INC (US) 2023-10-26 WO disclosed
WO-2023022926-A1 NANOPARTICLE COMPOSITIONS CONTAINING SUGAR FUNCTIONALIZED NUCLEIC ACID CARRIERS TIBA BIOTECH LLC (US) 2023-02-23 WO disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
US-20100189656-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-07-29 US disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO disclosed
WO-2009005364-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-08 WO 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-20100189656-A1 CONTRAST AGENTS IPO4, TPO, IPO11 CYP2C19 4234/4885MEN1 102/4885GLA 2902/4885

“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.