SCHEMBL1392258

SCHEMBL1392258

O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.60
LMNA P02545 2/20 0.60
IDE P14735 1/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC6A9 P48067 9/20 0.59
SLC6A5 Q9Y345 8/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
PAX8 Q06710 1/20 0.58
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.56

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
SCHEMBL34464817 0.89 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL17979844 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL22766914 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL5043638 0.83 SLC6A5 (0.75) SMN1; SMN2IDESLC6A9SLC6A5PAX8
SCHEMBL9760661 0.82 MAPT (0.77) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL3918537 0.82 ALDH1A1 (0.74) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL894767 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL3836058 0.81 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4ELMNAIDE
SCHEMBL16406345 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4ENPC1MAPT
SCHEMBL14602602 0.80 CNR1 (0.62) ALDH1A1KDM4ELMNANPC1MAPT

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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
EP-2231624-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF Progenics Pharmaceuticals, Inc. (US) 2010-09-29 EP disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 WO 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS SMN1; SMN2 4526/4885ALDH1A1 2382/4885KDM4E 3281/4885

“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.