SCHEMBL12079342

SCHEMBL12079342

O=C1CCN(Cc2cnc(Cl)s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 3/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.41
OGA O60502 8/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL486699 0.81 ALDH1A1 (0.66) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL4590541 0.79 ALDH1A1 (0.64) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL3085138 0.78 ALDH1A1 (0.67) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL27814718 0.78 ALDH1A1 (0.62) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL16854340 0.75 ALDH1A1 (0.72) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL18992532 0.74 OGA (0.67) OGA
SCHEMBL16854335 0.72 ALDH1A1 (0.71) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL31633994 0.71 ALDH1A1 (0.47) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL31633995 0.71 ALDH1A1 (0.47) ALDH1A1LMNARECQLKMT2AGAA
SCHEMBL18175699 0.71 ALDH1A1 (0.65) ALDH1A1LMNARECQLKMT2AGAA

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-8841296-B2 Substituted 1, 4-dioxa-8-azaspiro[4,5]decanes useful as fungicides and a process for the preparation thereof Council of Scientific and Industrial Research, Anusandhan Bhawan, Rafi Marg (IN) 2014-09-23 US disclosed
US-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH; ANUSANDHAN BHAWAN, RAFI MARG. (IN) 2012-09-06 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-20120225877-A1 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO[4,5]DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF CYP4X1, CYP51A1, CYP1A1 ALDH1A1 442/4885LMNA 4097/4885RECQL 2222/4885

“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.