SCHEMBL24915019

SCHEMBL24915019

COC(=O)c1cc(N)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.47
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ATAD2 Q6PL18 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN11 Q06124 1/20 0.41
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL15858102 0.89 KDM4E (0.61) KDM4EHSD17B10MAPTLMNAALDH1A1
SCHEMBL7383587 0.89 KDM4E (0.57) KDM4EHSD17B10MAPTLMNAALDH1A1
SCHEMBL8149013 0.87 MAP4K4 (0.41) MAPTMEN1KMT2AMAP4K4HDAC3
SCHEMBL10305747 0.86 MAP4K4 (0.46) ALDH1A1MAP4K4HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL7387616 0.86 MAP4K4 (0.39) KDM4EHSD17B10MAP4K4HDAC3HDAC1
SCHEMBL19426643 0.84 KDM4E (0.39) KDM4EHSD17B10MAPTLMNAATAD2
SCHEMBL31568470 0.84 KDM4E (0.55) KDM4EHSD17B10MAPTLMNAALDH1A1
SCHEMBL26032283 0.84 CA12 (0.56) KDM4EHSD17B10MAPTLMNAALDH1A1
SCHEMBL9396335 0.84 KDM4E (0.55) KDM4EHSD17B10MAPTLMNAALDH1A1
SCHEMBL22469882 0.84 KDM4E (0.55) KDM4EHSD17B10MAPTLMNAALDH1A1

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-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
US-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same HIROSHIMA UNIVERSITY (JP) 2023-05-04 US disclosed
EP-4119165-A1 NOVEL 3,5-DIAMINOBENZOIC ACID COMPOUND, AND PIN1 INHIBITOR AND THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES USING SAME Hiroshima University (JP) 2023-01-18 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-20230133581-A1 Novel 3,5-Diaminobenzoic Acid Compound, and PIN1 Inhibitor and Therapeutic Agent for Inflammatory Diseases Using Same PIN1, DUSP15, FKBP1A KDM4E 3752/4885HSD17B10 281/4885MAPT 574/4885

“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.