SCHEMBL2132196

SCHEMBL2132196

O=C(NN1CC2CCC1CC2)c1cccc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.46
▸ PRMT5 O14744 1/20 0.44
▸ METTL3 Q86U44 13/20 0.42
▸ KIT P10721 2/20 0.41
▸ METTL14 Q9HCE5 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL1761601 0.73 TNKS (0.42) TNKSPRMT5METTL3KITMETTL14
Hydrochloric Acid SCHEMBL1761591 0.72 TNKS (0.42) TNKSPRMT5METTL3KITMETTL14
SCHEMBL260898 0.71 HTR3A (0.64) —
SCHEMBL261296 0.71 HTR3A (0.64) —
SCHEMBL260289 0.71 HTR3A (0.64) —
SCHEMBL24112335 0.71 METTL3 (0.55) METTL3KIT
SCHEMBL459667 0.71 METTL3 (0.52) PRMT5METTL3KIT
SCHEMBL8354196 0.70 PARP1 (0.51) TNKSPRMT5METTL3CNR2CNR1
SCHEMBL8357643 0.70 PARP1 (0.51) TNKSPRMT5METTL3CNR2CNR1
SCHEMBL2587386 0.68 METTL3 (0.53) PRMT5METTL3KITTRPV1

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-8252811-B2 Indazoles, benzothiazoles, and benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-08-28 — — US disclosed
US-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2012-04-26 — — 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-20120101094-A1 INDAZOLES, BENZOTHIAZOLES, AND BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 TNKS 2468/4885PRMT5 1273/4885METTL3 4234/4885

“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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