SCHEMBL25979358

SCHEMBL25979358

O=C(NOI)c1ccc(CN(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
KCNH2 Q12809 1/20 0.47
HDAC1 Q13547 1/20 0.47
TSHR P16473 1/20 0.47
OPRM1 P35372 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PRKAA2 P54646 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16211277 0.90 HDAC1 (0.61) HDAC4KCNH2HDAC1TSHROPRM1
SCHEMBL25979342 0.90 POLB (0.44) TSHROPRM1POLBALDH1A1HPGD
SCHEMBL25980746 0.88 TSHR (0.46) TSHRPOLBALDH1A1HPGDKDM4E
SCHEMBL25979317 0.88 TSHR (0.46) TSHRPOLBALDH1A1HPGDKDM4E
SCHEMBL16211849 0.88 ALDH1A1 (0.56) TSHROPRM1SIGMAR1POLBALDH1A1
SCHEMBL25979330 0.87 TSHR (0.44) TSHROPRM1POLBALDH1A1HPGD
SCHEMBL25979283 0.87 SMN1; SMN2 (0.46) TSHRPOLBALDH1A1HPGDKDM4E
SCHEMBL25980729 0.84 TSHR (0.41) TSHROPRM1POLBALDH1A1HPGD
SCHEMBL25979300 0.84 HTT (0.49) TSHRPOLBALDH1A1HPGDKDM4E
SCHEMBL25979075 0.83 HDAC4 (0.50) HDAC4KCNH2HDAC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 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 (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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 HDAC4 3002/4885KCNH2 3526/4885HDAC1 1635/4885

“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.