SCHEMBL23775634

SCHEMBL23775634

CS(=O)(=O)Nc1ccc(CN2CCN(CCN)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TNIK Q9UKE5 1/20 0.48
JAK3 P52333 4/20 0.47
ABCB1 P08183 1/20 0.47
LTA4H P09960 1/20 0.46
CA2 P00918 3/20 0.42
NCF1 P14598 1/20 0.42
CHKA P35790 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
BRD4 O60885 1/20 0.42
HTR4 Q13639 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL9625113 0.82 JAK2 (0.63) JAK2LMNAALDH1A1KDM4EHPGD
SCHEMBL23775497 0.81 CCR2 (0.59) LMNA
SCHEMBL23775591 0.80 JAK2 (0.52) JAK2LMNAALDH1A1KDM4EHPGD
SCHEMBL23775577 0.77 KDM4E (0.69) LMNAALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9513748 0.76 JAK2 (0.51) JAK2LMNAALDH1A1KDM4EHPGD
SCHEMBL7854117 0.75 LTA4H (0.56) JAK2LMNAALDH1A1KDM4EHPGD
SCHEMBL8781020 0.75 DRD4 (0.60) ALDH1A1HTT
SCHEMBL23775603 0.75 LMNA (0.65) LMNAALDH1A1KDM4ECA2NCF1
SCHEMBL14578035 0.75 ALDH1A1 (0.56) LMNAALDH1A1SMN1; SMN2CA2CA1
SCHEMBL10729748 0.74 ALDH1A1 (0.50) JAK2LMNAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US 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 (2 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 JAK2 664/4885LMNA 3324/4885ALDH1A1 3332/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 JAK2 664/4885LMNA 3324/4885ALDH1A1 3332/4885

“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.