SCHEMBL7041013

SCHEMBL7041013

[O]c1cc(-c2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
MAPT P10636 5/20 0.55
LMNA P02545 3/20 0.55
STAT3 P40763 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 2/20 0.54
GALR3 O60755 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA2A P29274 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PDE4A P27815 1/20 0.47

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
SCHEMBL11140135 0.79 POLB (0.74) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL28109720 0.79 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL2321371 0.79 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL7041015 0.79 SMN1; SMN2 (0.66) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL27687138 0.79 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL28109721 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL29007620 0.77 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL11754118 0.74 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL27706437 0.74 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL1752961 0.72 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AMAPTLMNA

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 SMN1; SMN2 4594/4885MEN1 762/4885KMT2A 814/4885

“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.