SCHEMBL5474277

SCHEMBL5474277

O=C(C=Cc1cccnc1)NCCCCC1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
HDAC3 O15379 5/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 4/20 0.55

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
SCHEMBL20095356 1.00 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL5474275 1.00 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31006646 1.00 NAMPT (0.69) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL31597003 0.99 NAMPT (0.68) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Hydrochloric Acid SCHEMBL5463945 0.99 NAMPT (0.68) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Hydrochloric Acid SCHEMBL5463942 0.99 NAMPT (0.68) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Hydrochloric Acid SCHEMBL19834816 0.99 NAMPT (0.68) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Trifluoroacetic Acid SCHEMBL30828922 0.94 NAMPT (0.66) NAMPTCYP3A4CYP2C9HDAC3HDAC1
SCHEMBL28376292 0.85 NAMPT (0.82) NAMPTCYP3A4CYP2C9HDAC3HDAC1
Hydrochloric Acid SCHEMBL19834839 0.85 NAMPT (0.52) NAMPTCYP3A4CYP2C9HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives BIEDERMANN ELFI 2007-06-21 US disclosed
CN-1546472-A Pyridyl alkane acid amides as cytostatics and immunosupressives ���ָ���ҩ�ɷ����޹�˾ 2004-11-17 CN disclosed
CN-1152032-C Pyridylalkane-and pyridylalkyne-acid amides as cytostatics and immunosuppressants ���ָ���ҩ�ɷ����޹�˾ 2004-06-02 CN disclosed
US-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives KLINGE PHARMA GMBH 2004-01-15 US disclosed
EP-0923570-B1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
CN-1228777-A Pyridylalkane-and pyridylalkyne-acid amides as cytostatics and immunosuppressants KLINGE CO CHEM PHARM FAB (DE) 1999-09-15 CN disclosed
EP-0923570-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES Klinge Pharma GmbH (DE) 1999-06-23 EP disclosed
WO-1997048696-A1 PYRIDYL ALKENE- AND PYRIDYL ALKINE- ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES KLINGE PHARMA GMBH (DE) 1997-12-24 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-20040009967-A1 Pyridyl alkene- and pyridyl alkine- acid amides as cytostatics and immuno-suppressives IDO1, ALK, ARG1 NAMPT 350/4885CYP3A4 1520/4885CYP2C9 2017/4885
US-20070142377-A1 Pyridyl Alkene and Pyridyl Alkine-Acid Amides as Cytostatics and Immunosuppressives ALK, TYMP, PDCD1 NAMPT 151/4885CYP3A4 1137/4885CYP2C9 1645/4885

“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.