SCHEMBL2900638

SCHEMBL2900638

Cc1[c]cnn1-c1ccccc1C(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.33
TDP1 Q9NUW8 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNN4 O15554 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL2350243 0.78 KCNN4 (0.41) HCAR1MEN1KMT2AKCNN4
SCHEMBL2897551 0.78 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1LMNAMAPT
SCHEMBL2902651 0.77 EPHX2 (0.35) L3MBTL1HSD11B1
SCHEMBL2903061 0.75 HCAR1 (0.42) HCAR1ALDH1A1L3MBTL1KCNN4
SCHEMBL1903586 0.75 MAPK14 (0.40) HCAR1ALDH1A1MEN1LMNAMAPT
SCHEMBL2900762 0.74 HCAR1 (0.41) HCAR1HSD11B1
SCHEMBL2900510 0.73 HCAR1 (0.42) HCAR1L3MBTL1HSD11B1MAPT
SCHEMBL2893959 0.70 ALDH1A1 (0.42) HCAR1ALDH1A1L3MBTL1HSD11B1TDP1
SCHEMBL316519 0.70 RAB9A (0.41) ALDH1A1LMNACYP1A2MAPTMAPK1
SCHEMBL2901246 0.69 RXRA (0.36) HSD11B1MEN1KMT2AKCNN4

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HCAR1 2640/4885ALDH1A1 551/4885L3MBTL1 1263/4885

“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.