SCHEMBL25520172

SCHEMBL25520172

CN1CC(S(=O)(=O)c2cc(F)ccc2Br)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP30 Q70CQ3 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CTSS P25774 1/20 0.33
KCNH2 Q12809 2/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL28913228 0.82 TSHR (0.33) HTR6HTR2AHTR2CTSHRMAPK1
SCHEMBL25520170 0.78 CA1 (0.46) HTR6CTSS
SCHEMBL29974277 0.78 CA1 (0.46) HTR6CTSS
SCHEMBL30488778 0.71 PTGS2 (0.41) TSHRKDM4E
SCHEMBL1272338 0.71 PTGS2 (0.41) TSHRKDM4E
SCHEMBL27026405 0.69 CA2 (0.50)
SCHEMBL31553928 0.68 KMT2A (0.38) TSHRKDM4EPKM
SCHEMBL31261450 0.68 KMT2A (0.38) KDM4EPKMHTT
SCHEMBL16852853 0.68 KMT2A (0.38) TSHRKDM4EPKM
SCHEMBL31261446 0.68 KMT2A (0.38) KDM4EPKMHTT

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-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 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-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM HTR6 320/4885HTR2A 842/4885HTR2C 933/4885

“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.