SCHEMBL16133060

SCHEMBL16133060

Cn1ncc(N2CCN(C(C)(C)C)CC2)c(Cl)c1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
DCTPP1 Q9H773 2/20 0.44
KAT2B Q92831 7/20 0.43
BRD9 Q9H8M2 1/20 0.43
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
BPTF Q12830 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
SCHEMBL2547161 0.84 ALDH1A1 (0.60) ALDH1A1PKMNPC1DCTPP1KAT2B
SCHEMBL2550526 0.83 ALDH1A1 (0.58) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL2549761 0.81 RAB9A (0.59) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL20831802 0.80 ALDH1A1 (0.56) ALDH1A1PKMNPC1DCTPP1KAT2B
SCHEMBL9124077 0.79 PKM (0.54) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL23573211 0.75 ALDH1A1 (0.50) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL9125507 0.69 ALDH1A1 (0.47) ALDH1A1PKMNPC1DCTPP1MAPT
SCHEMBL27264164 0.69 BPTF (0.52) ALDH1A1PKMNPC1KAT2BMAPT
SCHEMBL9125502 0.69 ALDH1A1 (0.47) ALDH1A1PKMNPC1DCTPP1MAPT
SCHEMBL27263186 0.67 ALDH1A1 (0.47) ALDH1A1PKMNPC1KAT2BBRD9

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-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 US disclosed
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 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-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 ALDH1A1 842/4885PKM 38/4885NPC1 4276/4885

“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.