SCHEMBL6034952

SCHEMBL6034952

O=C(CCCc1nc2ccccc2s1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
HTT P42858 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALOX15 P16050 1/20 0.71
MAPT P10636 5/20 0.71
POLB P06746 4/20 0.70
HPGD P15428 4/20 0.70
ATM Q13315 1/20 0.70
PKM P14618 2/20 0.67
HSD17B10 Q99714 1/20 0.67
KDM4E B2RXH2 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 4/20 0.64
KLF5 Q13887 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL12046962 0.85 LMNA (0.74) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11343437 0.83 LMNA (0.71) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL243430 0.83 SMN1; SMN2 (1.00) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12046948 0.81 LMNA (0.68) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL25062713 0.81 LMNA (0.67) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5201727 0.80 HTT (0.78) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7829947 0.80 LMNA (0.67) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7829459 0.80 LMNA (0.67) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL6645560 0.79 SMN1; SMN2 (0.91) LMNAKMT2AHTTSMN1; SMN2ALOX15
SCHEMBL27453408 0.79 LMNA (0.64) LMNAMEN1KMT2AHTTSMN1; SMN2

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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 US claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT LMNA 3057/4885MEN1 4454/4885KMT2A 4043/4885

“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.