SCHEMBL32680989

SCHEMBL32680989

CCc1ccc(-c2ccc(-c3ccc(C#N)cc3C)c3nsnc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ NSD2 O96028 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ CYP11B2 P19099 6/20 0.37
▸ CYP11B1 P15538 4/20 0.37
▸ XDH P47989 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ EIF4E P06730 1/20 0.35
▸ EGLN2 Q96KS0 2/20 0.34

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
SCHEMBL32680894 0.86 CYP2A6 (0.45) CYP2A6NSD2S1PR1PDE3BPDE3A
SCHEMBL32680990 0.84 NSD2 (0.44) CYP2A6NSD2S1PR1PDE3BPDE3A
SCHEMBL32680982 0.81 EGFR (0.37) CSF1RKITFLT3ALDH1A1
SCHEMBL32681004 0.81 SMN1; SMN2 (0.32) S1PR1ALDH1A1
SCHEMBL32680956 0.81 GCGR (0.39) PDE3BPDE3A
SCHEMBL32680802 0.79 PTAFR (0.35) ALDH1A1
SCHEMBL32680923 0.73 CYP2A6 (0.42) CYP2A6NSD2PDE3BPDE3ACYP11B2
SCHEMBL7634772 0.71 ALDH1A1 (0.48) CYP2A6NSD2S1PR1PDE3BPDE3A
SCHEMBL32680945 0.71 MAPT (0.37) ALDH1A1
SCHEMBL2154193 0.71 CYP11B2 (0.53) CYP2A6PDE3BPDE3ACYP11B2CYP11B1

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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — US claimed
US-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — 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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES BLM, MEF2D, SNCA CYP2A6 4775/4885NSD2 698/4885S1PR1 4136/4885

“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.

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