SCHEMBL9434857

SCHEMBL9434857

[c]1ccccc1-c1nnnn1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
P2RX7 Q99572 10/20 0.56
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.48
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.42
SLC9A1 P19634 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL8324448 0.81 P2RX7 (0.38) ALDH1A1P2RX7KMT2AMEN1SLC9A1
SCHEMBL4403732 0.77 P2RX7 (0.81) ALDH1A1P2RX7KMT2ALMNAHDAC6
SCHEMBL2649520 0.74 SMN1; SMN2 (0.41) ALDH1A1P2RX7LMNASLC9A1
SCHEMBL15475138 0.73 P2RX7 (0.52) ALDH1A1P2RX7LMNAHDAC6SLC9A1
SCHEMBL6357277 0.73 ALDH1A1 (1.00) ALDH1A1P2RX7KMT2ALMNA
SCHEMBL6357225 0.72 P2RX7 (0.72) ALDH1A1P2RX7KMT2ALMNAHDAC6
SCHEMBL5815309 0.72 P2RX7 (0.71) ALDH1A1P2RX7KMT2ALMNA
SCHEMBL5815858 0.72 P2RX7 (0.81) ALDH1A1P2RX7KMT2ALMNA
SCHEMBL5820209 0.72 P2RX7 (0.72) ALDH1A1P2RX7KMT2ALMNAHDAC6
SCHEMBL3035928 0.72 LMNA (0.62) ALDH1A1P2RX7KMT2ALMNAMEN1

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
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 ALDH1A1 675/4885P2RX7 2874/4885KMT2A 2085/4885

“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.