SCHEMBL25811739

SCHEMBL25811739

CCc1c(C)c2cc(C(=O)NCCN3CCCC3)ccc2n1I

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 2/20 0.60
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
RAD52 P43351 1/20 0.52
HTR3A P46098 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL25811785 0.99 KMT2A (0.69) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL25812228 0.98 KMT2A (0.64) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL25811723 0.93 RAD52 (0.61) KMT2AMEN1MAPTNPSR1RAD52
SCHEMBL25811716 0.88 KMT2A (0.66) KMT2AMEN1MAPTNPSR1RAD52
SCHEMBL25811765 0.85 KMT2A (0.71) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL25811770 0.84 KMT2A (0.66) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL25300551 0.82 KMT2A (0.76) KMT2AMEN1MAPTNPSR1RAD52
SCHEMBL25811381 0.81 KMT2A (0.78) KMT2AMEN1MAPTNPSR1CYP1A2
SCHEMBL30401813 0.80 RAD52 (0.74) KMT2AMEN1MAPTNPSR1RAD52
SCHEMBL25811302 0.80 RAD52 (0.74) KMT2AMEN1MAPTNPSR1RAD52

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 981/4885MEN1 3841/4885MAPT 18/4885

“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.