SCHEMBL18624972

SCHEMBL18624972

[N-]=[N+]=NCc1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc1CN=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 3/20 0.39
KMT2A Q03164 1/20 0.39
TTR P02766 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPRC P08575 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
SRD5A2 P31213 3/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
KAT2B Q92831 1/20 0.36
MCL1 Q07820 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL29171033 0.87 KDM4E (0.41) TSHRTP53POLBALDH1A1SMN1; SMN2
SCHEMBL18624973 0.85 FOLH1 (0.44) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL21711727 0.84 MRGPRX4 (0.44) POLBKMT2AALDH1A1KAT2BMCL1
SCHEMBL27831466 0.83 TSHR (0.36) TSHRTP53POLBALDH1A1SMN1; SMN2
SCHEMBL23906521 0.78 KDM4E (0.40) TSHRKMT2AALDH1A1SMN1; SMN2F7
SCHEMBL31469856 0.76 CASP6 (0.54) TSHR
SCHEMBL16687506 0.75 KDM4E (0.38) TSHRALDH1A1F7F3KDM4E
SCHEMBL27218952 0.73 SMN1; SMN2 (0.52) TP53POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL14699641 0.72 FOLH1 (0.49) TSHRTP53ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL717095 0.72 ALDH1A1 (0.54) TSHRTP53POLBKMT2ATTR

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-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 TSHR 2257/4885TP53 3141/4885POLB 4374/4885

“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.