SCHEMBL3092355

SCHEMBL3092355

NCc1c(-c2ccc(Cl)cc2Cl)ncn1Cc1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.42
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
DPP8 Q6V1X1 4/20 0.40
ACP1 P24666 1/20 0.40
DPP9 Q86TI2 1/20 0.39
CNR1 P21554 2/20 0.39
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL3078422 0.95 ALDH1A1 (0.38) DPP4CYP3A4SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3088192 0.93 DPP4 (0.46) DPP4CYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3089834 0.92 CNR1 (0.43) DPP4CYP3A4SMN1; SMN2CYP1A2CYP2D6
SCHEMBL3084453 0.91 CNR1 (0.45) DPP4CYP3A4DPP8DPP9CNR1
SCHEMBL3090731 0.88 P2RX7 (0.39) DPP4CYP3A4SMN1; SMN2MAPK1HTT
SCHEMBL3089159 0.88 CNR1 (0.40) DPP4DPP8CNR1P2RX7LMNA
SCHEMBL3096196 0.88 CNR1 (0.36) DPP4CYP3A4SMN1; SMN2CNR1P2RX7
SCHEMBL3604333 0.87 KDM4C (0.44) DPP4SMN1; SMN2HTTACP1P2RX7
SCHEMBL3100277 0.87 DPP4 (0.39) DPP4SMN1; SMN2MAPK1HTTDPP8
SCHEMBL3096840 0.87 DPP4 (0.46) DPP4CYP3A4SMN1; SMN2DPP8DPP9

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 11 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
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 DPP4 147/4885CYP3A4 90/4885SMN1; SMN2 1091/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885CYP3A4 107/4885SMN1; SMN2 1093/4885

“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.