SCHEMBL3761232

SCHEMBL3761232

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
CREBBP Q92793 1/20 0.38
GPR55 Q9Y2T6 1/20 0.36
GRM5 P41594 2/20 0.36
SCN5A Q14524 1/20 0.35
NR3C1 P04150 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A3 P47895 2/20 0.34
MAPK13 O15264 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
FLT3 P36888 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33

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
SCHEMBL3761270 0.79 NPC1 (0.42) KDRNPC1RAB9ASMN1; SMN2ALDH1A3
SCHEMBL3753666 0.78 L3MBTL1 (0.50) KDRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3761234 0.75 GPR55 (0.56) KDRCREBBPGPR55SMN1; SMN2FLT3
SCHEMBL6969137 0.72
SCHEMBL9977896 0.71 CREBBP (0.51) CREBBP
SCHEMBL28710155 0.69 BCL2L1 (0.46) KDRCREBBPNPC1SMN1; SMN2BCL2L1
Hydrochloric Acid SCHEMBL15326968 0.69 CREBBP (0.50) CREBBP
SCHEMBL5901517 0.68 CREBBP (0.52) KDRCREBBP
SCHEMBL10300262 0.68 BCL2L1 (0.55) NPC1RAB9APOLBSMN1; SMN2BCL2L1
SCHEMBL197346 0.68 BCL2L1 (0.55) NPC1RAB9APOLBSMN1; SMN2BCL2L1

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 KDR 4788/4885CREBBP 3070/4885GPR55 4733/4885

“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.