SCHEMBL4517013

SCHEMBL4517013

Cc1ccccc1CN1CCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MAPT P10636 3/20 0.82
ALDH1A1 P00352 4/20 0.67
POLB P06746 3/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.53
P2RX7 Q99572 2/20 0.52
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CYP2A13 Q16696 1/20 0.46
TRPC5 Q9UL62 1/20 0.45

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
SCHEMBL4525195 0.90 MAPT (1.00) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL12939977 0.86 KMT2A (0.75) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL24710143 0.82 KMT2A (0.69) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL30110758 0.81 KMT2A (0.68) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL11801718 0.80 ALDH1A1 (1.00) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL14403257 0.80 ALDH1A1 (0.67) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL26357112 0.80 MAPT (0.67) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4002090 0.80 MEN1 (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL20818195 0.80 KMT2A (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4512688 0.79 KMT2A (0.65) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 KMT2A 2379/4885MEN1 1254/4885SMN1; SMN2 4487/4885

“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.