SCHEMBL3095151

SCHEMBL3095151

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 7/20 0.41
DPP4 P27487 5/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD11B1 P28845 1/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 1/20 0.36
MAPK1 P28482 1/20 0.35
CDK9 P50750 1/20 0.35
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL3598278 0.94 TSHR (0.42) ACP1DPP4ALDH1A1TSHRPOLB
SCHEMBL3217490 0.88 DPP4 (0.47) ACP1DPP4ALDH1A1SMN1; SMN2TSHR
SCHEMBL3089615 0.87 P2RX7 (0.42) DPP4HSD11B1P2RX7
SCHEMBL3604333 0.87 KDM4C (0.44) ACP1DPP4ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL3595937 0.87 CDK9 (0.46) CDK9
SCHEMBL3096019 0.87 DPP4 (0.45) DPP4HSD11B1CDK9
SCHEMBL3088769 0.86 CDK9 (0.39) DPP4POLBHPGDCDK9
SCHEMBL3096196 0.86 CNR1 (0.36) DPP4SMN1; SMN2LMNAP2RX7
SCHEMBL3078422 0.85 ALDH1A1 (0.38) DPP4ALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL3099946 0.85 DPP4 (0.45) ACP1DPP4ALDH1A1TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO 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 (2 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA ACP1 4432/4885DPP4 147/4885ALDH1A1 38/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 ACP1 4433/4885DPP4 372/4885ALDH1A1 39/4885

“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.