SCHEMBL20510943

SCHEMBL20510943

c1cc(-c2ccc[nH]2)cc(-c2ccc[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NT5E P21589 1/20 0.41
IDO1 P14902 3/20 0.39
BACE1 P56817 1/20 0.39
CSF1R P07333 1/20 0.38
ADORA2A P29274 1/20 0.37
CHEK1 O14757 3/20 0.36
PTPN1 P18031 2/20 0.36
NOTUM Q6P988 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL380666 0.89
SCHEMBL18821909 0.89 HDAC6 (0.45) CNR1HDAC1HDAC6NT5ECSF1R
Hydrochloric Acid SCHEMBL3824245 0.86 HDAC6 (0.48) CNR1HDAC1HDAC6NT5EIDO1
SCHEMBL237434 0.86 IDO1 (0.56) CNR1IDO1CSF1RNOTUM
SCHEMBL7292924 0.84 IDO1 (0.46) CNR1HDAC1HDAC6IDO1
SCHEMBL7762234 0.84 IDO1 (0.46) CNR1NT5EIDO1
SCHEMBL16236283 0.84 MAOA (0.50) CNR1BACE1
SCHEMBL11434632 0.84 NT5E (0.57) CNR1NT5E
SCHEMBL30469333 0.84 MAOA (0.50) CNR1BACE1
SCHEMBL30460063 0.84 IDO1 (0.55) CNR1IDO1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY 2021-06-17 US disclosed
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof MISSISSIPPI STATE UNIVERSITY (US) 2021-02-23 US disclosed
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NATIONAL SCIENCE FOUNDATION 2020-03-26 US disclosed
EP-3600656-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME Mississippi State University (US) 2020-02-05 EP disclosed
WO-2018175659-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME MISSISSIPPI STATE UNIVERSITY (US) 2018-09-27 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 (4 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-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same NDC1, INO80C, HLCS CNR1 690/4885HDAC1 485/4885HDAC6 1706/4885
US-20200095228-A1 UNSYMMETRIC CCC-NHC PINCER METAL COMPLEXES AND METHODS OF USE THEREOF NDC1, INO80C, KCNC1 CNR1 764/4885HDAC1 423/4885HDAC6 1675/4885
US-20210179588-A1 UNSYMMETRICAL SALTS, CCC-NHC PINCER METAL COMPLEXES, AND METHODS OF MAKING THE SAME NDC1, INO80C, KCNC1 CNR1 576/4885HDAC1 489/4885HDAC6 1770/4885
US-10927099-B2 Unsymmetric CCC-NHC pincer metal complexes and methods of use thereof NDC1, INO80C, KCNC1 CNR1 764/4885HDAC1 423/4885HDAC6 1675/4885

“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.