SCHEMBL18624973

SCHEMBL18624973

[N-]=[N+]=NCc1cc(-c2ccc(C(=O)O)cc2)c(CN=[N+]=[N-])cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
SRD5A2 P31213 1/20 0.39
RARA P10276 2/20 0.39
RARB P10826 2/20 0.39
RARG P13631 2/20 0.39

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
SCHEMBL18624972 0.85 TSHR (0.40) FOLH1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21711727 0.76 MRGPRX4 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL25126172 0.75 RXRA (0.59) FOLH1RXRARXRBTP53TSHR
SCHEMBL27831466 0.75 TSHR (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18624971 0.74 FOLH1 (0.50) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31469856 0.72 CASP6 (0.54) TSHR
SCHEMBL28374522 0.71 RARB (0.53) FOLH1RXRARXRBTP53RARA
SCHEMBL18100911 0.71 SRD5A2 (0.42) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23906521 0.71 KDM4E (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14008691 0.70 HDAC1 (0.41) FOLH1HDAC3HDAC1HDAC2HDAC8

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-11690920-B2 General and direct method for preparing oligonucleotide-functionalized metal-organic framework nanoparticles NORTHWESTERN UNIVERSITY (US) 2023-07-04 US claimed
US-11690920-B2 General and direct method for preparing oligonucleotide-functionalized metal-organic framework nanoparticles NORTHWESTERN UNIVERSITY (US) 2023-07-04 US disclosed
US-20210236651-A1 General and Direct Method for Preparing Oligonucleotide-Functionalized Metal-Organic Framework Nanoparticles NORTHWESTERN UNIVERSITY 2021-08-05 US disclosed
US-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2017-03-16 US disclosed
US-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2017-03-16 US disclosed
EP-3141263-A1 METAL-ORGANIC FRAMEWORK/STIMULUS-RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST National University Corporation Hokkaido University (JP) 2017-03-15 EP 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-20170072070-A1 METAL-ORGANIC FRAMEWORK STIMULUS RESPONSIVE POLYMER COMPOSITE CAPABLE OF CONTROLLING RELEASE OF GUEST ORAI1, SARAF, TRPM8 FOLH1 2971/4885HDAC3 2323/4885HDAC4 1426/4885

“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.