SCHEMBL26501700

SCHEMBL26501700

Cc1ccc(CC(=O)Nc2ccc(C(C)C)nc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
WNT3A P56704 6/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL26501545 0.82 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL26501796 0.78 HDAC1 (0.35) SMN1; SMN2KDM4EHDAC1HDAC6NPC1
SCHEMBL26501678 0.77 PANK3 (0.42) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL26501699 0.76 TSHR (0.44) PTPN1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL26501542 0.76 ALDH1A1 (0.43) KMT2AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL26501695 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KDM4EMAPTNPC1
SCHEMBL26501696 0.75 SMN1; SMN2 (0.39) PTPN1WNT3AALDH1A1SMN1; SMN2KDM4E
SCHEMBL26501698 0.75 TSHR (0.43) PTPN1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18291583 0.74 SMN1; SMN2 (0.48) PTPN1MEN1KMT2ASMN1; SMN2TRPV1
SCHEMBL26501697 0.74 RORC (0.41) PTPN1MEN1KMT2AALDH1A1SMN1; SMN2

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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PTPN1 2829/4885WNT3A 4640/4885MEN1 2263/4885

“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.