SCHEMBL3761270

SCHEMBL3761270

[CH2]n1cc(-c2ccc(C)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LRRK2 Q5S007 3/20 0.41
KDR P35968 2/20 0.41
MAPT P10636 2/20 0.40
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3753666 0.78 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDR
SCHEMBL844281 0.77 LRRK2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL25012056 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17809809 0.72 LRRK2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17448056 0.72 PIK3CD (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31375562 0.71 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17809810 0.71 CREBBP (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17809808 0.69 RIPK1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL13036117 0.69 PIK3CD (0.51) LRRK2KDREPHB4TEKL3MBTL1
SCHEMBL28712249 0.69 F2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT NPC1 1402/4885RAB9A 2012/4885SMN1; SMN2 3614/4885

“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.