SCHEMBL2531801

SCHEMBL2531801

[CH2]c1cccc(N(C)C(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
PDK2 Q15119 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
FSCN1 Q16658 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27460269 0.82 CRHBP (0.51) ALDH1A1POLBCRHBPCRHR2KMT2A
SCHEMBL11409410 0.80 ALDH1A1 (0.52) BRD4LIN28APDK2SMN1; SMN2ALDH1A1
SCHEMBL1195954 0.79 KMT2A (0.54) HSD17B1HSD17B2KMT2A
SCHEMBL29674755 0.78 HSD17B1 (0.57) BRD4LIN28ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5081710 0.78 ALDH1A1 (0.61) BRD4LIN28APDK2ALDH1A1HSD17B1
SCHEMBL2531803 0.78 HSD17B1 (0.57) BRD4LIN28ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2378380 0.77 MTNR1A (0.48) BRD4LIN28APDK2ALDH1A1FSCN1
SCHEMBL2020210 0.77 SIGMAR1 (0.47) BRD4LIN28APDK2SMN1; SMN2ALDH1A1
SCHEMBL7858429 0.77 CES2 (0.44) BRD4LIN28APDK2SMN1; SMN2ALDH1A1
SCHEMBL6386464 0.77 HTR3E (0.61) SMN1; SMN2ALDH1A1RAB9AHSD17B1HSD17B2

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
CN-101331133-A Sulphonamidoaniline derivatives as Janus kinase inhibitors NOVARTIS AG (CH) 2008-12-24 CN claimed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1966210-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS Novartis AG (CH) 2008-09-10 EP claimed
WO-2007071393-A2 SULPHONAMIDOANILINE DERIVATIVES BEING JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO claimed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
CN-101331133-A Sulphonamidoaniline derivatives as Janus kinase inhibitors NOVARTIS AG (CH) 2008-12-24 CN disclosed
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (3 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 BRD4 327/4885LIN28A 4732/4885PDK2 2550/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 BRD4 652/4885LIN28A 4474/4885PDK2 1530/4885
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK BRD4 93/4885LIN28A 4842/4885PDK2 1053/4885

“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.