SCHEMBL22492931

SCHEMBL22492931

Nc1cccc[n+]1C(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
APOBEC3A P31941 1/20 0.31
KMT2A Q03164 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL11287268 0.80 TSHR (0.36) TDP1ALDH1A1RAB9APOLBCYP3A4
SCHEMBL11294843 0.80 MAPT (0.36) KDM4ETDP1ALDH1A1HPGDMEN1
SCHEMBL21517810 0.74 SMN1; SMN2 (0.35) CA2CA4KDM4ETDP1ALDH1A1
SCHEMBL30661308 0.72 CA2 (0.37) CA2CA4KDM4EALDH1A1HPGD
SCHEMBL8522853 0.71 CA2 (0.31) CA2CA4KDM4ETDP1
SCHEMBL8523082 0.71 CA2 (0.31) CA2CA4KDM4ETDP1
SCHEMBL19733000 0.69 ALDH1A1 (0.35) CA2CA4KDM4EALDH1A1MEN1
SCHEMBL753273 0.67 CES2 (0.41) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL18528439 0.67 HDAC3 (0.37) KDM4ETDP1ALDH1A1HPGDMEN1
SCHEMBL30919982 0.67 HDAC3 (0.37) KDM4ETDP1ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168312-A1 MULTICOMPONENT CRYSTAL FORMULATIONS UNIV LIMERICK (IE) 2022-06-02 US disclosed
EP-3946600-A1 MULTICOMPONENT CRYSTAL FORMULATIONS University of Limerick (IE) 2022-02-09 EP disclosed
WO-2020201460-A1 MULTICOMPONENT CRYSTAL FORMULATIONS UNIVERSITY OF LIMERICK (IE) 2020-10-08 WO disclosed
EP-3718602-A1 MULTICOMPONENT CRYSTAL FORMULATIONS University of Limerick (IE) 2020-10-07 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-20220168312-A1 MULTICOMPONENT CRYSTAL FORMULATIONS CACNA1C, HDAC3, HDAC1 CA2 487/4885CA4 2127/4885KDM4E 242/4885

“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.