SCHEMBL8338229

SCHEMBL8338229

NC1CCN(c2ccc(I)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
AKR1C3 P42330 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX15 P16050 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
VCP P55072 1/20 0.37
USP2 O75604 2/20 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
SCHEMBL23422595 0.88 NAMPT (0.46) LTA4HL3MBTL1L3MBTL3AKR1C3HRH3
Trifluoroacetic Acid SCHEMBL17080510 0.84 DPP4 (0.44) L3MBTL1AKR1C3SMYD3HRH3USP2
SCHEMBL16144142 0.81 LTA4H (0.46) LTA4HL3MBTL1L3MBTL3AKR1C3KMT2A
SCHEMBL3441371 0.81 MAPT (0.57) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL14345952 0.79 AKR1C3 (0.57) LTA4HL3MBTL1AKR1C3KMT2AMEN1
SCHEMBL5545948 0.79 TDP1 (0.51) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL377434 0.79 ALDH1A1 (0.59) L3MBTL1L3MBTL3KMT2AMEN1TSHR
SCHEMBL5545942 0.79 SMYD3 (0.44) L3MBTL1L3MBTL3SMYD3KMT2AMEN1
SCHEMBL16669437 0.79 L3MBTL3 (0.44) L3MBTL1L3MBTL3AKR1C3SMYD3KMT2A
SCHEMBL3060190 0.79 HTR3E (0.53) LTA4HL3MBTL1L3MBTL3AKR1C3KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021101268-A1 BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2021-05-27 WO disclosed
US-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-12-29 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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-10874670-B2 Substituted fused heteroaromatic compounds as kinase inhibitors and the use thereof CHEK1, CHEK2, CDK1 LTA4H 1247/4885L3MBTL1 712/4885L3MBTL3 788/4885

“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.