SCHEMBL25980652

SCHEMBL25980652

O=C(NO)c1ccc(CN(C(=O)N2CCN(c3ccc(P)cc3)CC2)c2ccccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
OPRM1 P35372 3/20 0.41
HTR1A P08908 2/20 0.41
DRD4 P21917 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
HDAC1 Q13547 3/20 0.40
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL16211296 0.91 ALDH1A1 (0.42) TSHROPRM1HTR1AHDAC6HDAC1
SCHEMBL25980655 0.91 TSHR (0.42) TSHROPRM1HTR1ADRD4HDAC6
SCHEMBL16212019 0.86 HDAC1 (0.42) TSHROPRM1HTR1ADRD4HDAC6
SCHEMBL16211653 0.85 TSHR (0.48) TSHRHDAC6HDAC1ALDH1A1KDM4E
SCHEMBL16211683 0.85 TSHR (0.48) TSHRHDAC6HDAC1ALDH1A1KDM4E
SCHEMBL16211654 0.84 TSHR (0.46) TSHRHDAC6HDAC1KDM1AALDH1A1
SCHEMBL16211627 0.84 HDAC6 (0.48) TSHRHDAC6HDAC1ALDH1A1KDM4E
SCHEMBL16211832 0.84 SMN1; SMN2 (0.47) TSHRHDAC6HDAC1ALDH1A1KDM4E
SCHEMBL16211363 0.84 POLB (0.46) TSHROPRM1HDAC6HDAC1ALDH1A1
SCHEMBL25979304 0.83 CYP3A4 (0.43) TSHROPRM1HTR1AHDAC1ALDH1A1

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 TSHR 4672/4885OPRM1 327/4885HTR1A 3822/4885

“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.