SCHEMBL16178366

SCHEMBL16178366

Cc1cc(N2CCN(C(=O)O)CC2)ncc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 1/20 0.41
SMO Q99835 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL16178365 1.00 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3172421 0.86 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14938605 0.83 MAPT (0.72) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30954839 0.83 ALDH1A1 (0.76) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3665818 0.83 MAPT (0.76) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14938498 0.83 MAPT (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30502025 0.83 MAPT (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL22576318 0.80 ALDH1A1 (0.60) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL22652046 0.80 ALDH1A1 (1.00) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28471533 0.80 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 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-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 ALDH1A1 708/4885MAPT 2357/4885CYP1A2 1950/4885

“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.