SCHEMBL14574205

SCHEMBL14574205

CN(C)CCN(C)S(=O)(=O)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ CA2 P00918 4/20 0.49
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA4 P22748 2/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP19A1 P11511 1/20 0.42
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ELANE P08246 1/20 0.40

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
SCHEMBL10860489 0.95 LMNA (0.55) LMNACA2CA12CA1CA9
SCHEMBL2852904 0.86 KMT2A (0.56) LMNACA2CA12CA1CA9
SCHEMBL8251507 0.83 LMNA (0.53) LMNACA2CA12CA1CA9
SCHEMBL14938228 0.81 TAAR1 (0.47) LMNAALDH1A1TSHRKMT2ARXFP1
SCHEMBL5856927 0.80 HDAC4 (0.47) LMNACA2CA12CA1CA9
SCHEMBL14376201 0.79 NPC1 (0.49) ALDH1A1TSHRRXFP1ELANENPC1
SCHEMBL16222119 0.79 CCR5 (0.51) LMNAALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL519750 0.79 LMNA (0.61) LMNACA2CA12CA1CA9
SCHEMBL2875204 0.79 LMNA (0.52) LMNACA2CA12CA1CA9
SCHEMBL5431476 0.79 SIGMAR1 (0.59) LMNACA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 — — US 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK LMNA 841/4885CA2 4574/4885CA12 4883/4885

“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.

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