SCHEMBL3281579

SCHEMBL3281579

O=C(O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
MAPT P10636 4/20 0.66
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 1/20 0.61
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GRM5 P41594 2/20 0.56
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.52
HSD11B1 P28845 1/20 0.51

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
SCHEMBL3281568 1.00 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14334518 0.89 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL12126266 0.89 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL12124656 0.86 GRM5 (0.67) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3642398 0.84 ALDH1A1 (0.78) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3961274 0.83 ALDH1A1 (0.57) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8299377 0.82 ALDH1A1 (0.65) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4103009 0.82 MAPT (0.68) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3436165 0.82 ALDH1A1 (0.74) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14377392 0.82 CYP1A2 (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
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 ALDH1A1 976/4885MAPT 3699/4885CYP1A2 675/4885

“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.