SCHEMBL25812566

SCHEMBL25812566

Cn1c2c(c3cc(C(=O)NCCN4CCOCC4)ccc31)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
POLB P06746 1/20 0.61
PIK3CA P42336 1/20 0.55
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CD274 Q9NZQ7 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HTR1A P08908 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
KCNH2 Q12809 1/20 0.53
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.51
PARP1 P09874 2/20 0.51
THRB P10828 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL25811779 0.93 KMT2A (0.58) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL25815123 0.93 KMT2A (0.61) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL25811762 0.92 KMT2A (0.62) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL25812597 0.91 KMT2A (0.58) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL25811754 0.91 KMT2A (0.61) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL25813448 0.90 RAD52 (0.59) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL25811726 0.88 RAD52 (0.59) KMT2APOLBCYP1A2CYP2D6ALDH1A1
SCHEMBL3317573 0.83 CNR1 (0.65) KMT2APOLBPIK3CAALDH1A1KCNH2
SCHEMBL25811288 0.81 KMT2A (0.79) KMT2APOLBPIK3CACYP2C19CYP1A2
SCHEMBL25936813 0.79 ALOX5 (0.52) KMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 KMT2A 981/4885POLB 2897/4885PIK3CA 3404/4885

“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.