SCHEMBL3753666

SCHEMBL3753666

[CH2]n1cc(-c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDR P35968 3/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL3761232 0.78 KDR (0.41) SMN1; SMN2NPC1RAB9AKDRMEN1
SCHEMBL3761270 0.78 NPC1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2NPC1NFKB1
SCHEMBL92380 0.74 L3MBTL1 (0.57) L3MBTL1ALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL244970 0.73 KDR (0.56) L3MBTL1KDRACVR1DYRK1AEPHB4
SCHEMBL28816219 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL23845574 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL27684583 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1ATMSMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL18398465 0.71 KDR (0.55) L3MBTL1KDRACVR1DYRK1AEPHB4
SCHEMBL515503 0.71 GAA (0.59) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20774126 0.71 KDR (0.55) L3MBTL1KDRACVR1DYRK1AEPHB4

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 L3MBTL1 1100/4885ALDH1A1 651/4885ATM 1788/4885

“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.