SCHEMBL16225604

SCHEMBL16225604

Fc1ccccc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.86
ATM Q13315 4/20 0.86
MEN1 O00255 4/20 0.86
ALDH1A1 P00352 3/20 0.58
CYP2A13 Q16696 1/20 0.55
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
P2RX7 Q99572 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL16226380 0.83 ALDH1A1 (0.81) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL16226486 0.82 KMT2A (0.62) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL16226408 0.82 KMT2A (0.62) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL16227069 0.81 KMT2A (0.61) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL9720696 0.81 MPO (0.69) KMT2AATMMEN1OPRM1OPRD1
SCHEMBL14983599 0.81 ALDH1A1 (0.62) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL20804484 0.78 KMT2A (0.57) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL16226719 0.78 ALDH1A1 (0.68) KMT2AATMMEN1ALDH1A1CYP2A13
SCHEMBL7311276 0.78 ATM (0.84) KMT2AATMMEN1OPRM1OPRD1
SCHEMBL16226852 0.78 MEN1 (0.86) KMT2AATMMEN1OPRM1OPRD1

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KMT2A 2536/4885ATM 1835/4885MEN1 4777/4885

“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.