SCHEMBL632800

SCHEMBL632800

COc1ccc([N+](=O)[O-])c(Br)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40

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
SCHEMBL17048140 0.86 ALDH1A1 (0.49) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL29991058 0.86 ALDH1A1 (0.49) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL626589 0.84 ALDH1A1 (0.53) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL29524625 0.84 ALDH1A1 (0.53) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL25234781 0.82 NPC1 (0.45) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL2549695 0.81 ALDH1A1 (0.50) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL633461 0.81 ALDH1A1 (0.50) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL28991054 0.81 ALDH1A1 (0.50) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL11559751 0.81 ALDH1A1 (0.50) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL30153963 0.80 CYP19A1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 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-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885MAPT 3438/4885TDP1 949/4885

“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.